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- PDB-6et2: Crystal structure of PqsBC (C129A) mutant from Pseudomonas aerugi... -

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基本情報

登録情報
データベース: PDB / ID: 6et2
タイトルCrystal structure of PqsBC (C129A) mutant from Pseudomonas aeruginosa (crystal form 3)
要素
  • PqsB
  • PqsC
キーワードTRANSFERASE (転移酵素) / Pseudomonas Quinolone Signal / FabH / HHQ
機能・相同性
機能・相同性情報


2-heptyl-4(1H)-quinolone synthase / secondary metabolite biosynthetic process / acyltransferase activity / 3-oxoacyl-[acyl-carrier-protein] synthase activity / fatty acid biosynthetic process / 細胞質
類似検索 - 分子機能
3-Oxoacyl-[acyl-carrier-protein (ACP)] synthase III / 3-Oxoacyl-[acyl-carrier-protein (ACP)] synthase III / 3-Oxoacyl-[acyl-carrier-protein (ACP)] synthase III, C-terminal / 3-Oxoacyl-[acyl-carrier-protein (ACP)] synthase III C terminal / Thiolase/Chalcone synthase / Peroxisomal Thiolase; Chain A, domain 1 / Thiolase-like / 3-Layer(aba) Sandwich / Alpha Beta
類似検索 - ドメイン・相同性
2-heptyl-4(1H)-quinolone synthase subunit PqsC / 2-heptyl-4(1H)-quinolone synthase subunit PqsB
類似検索 - 構成要素
生物種Pseudomonas aeruginosa PAO1 (緑膿菌)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 2.6 Å
データ登録者Witzgall, F. / Blankenfeldt, W.
引用ジャーナル: Chembiochem / 年: 2018
タイトル: The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
著者: Witzgall, F. / Depke, T. / Hoffmann, M. / Empting, M. / Bronstrup, M. / Muller, R. / Blankenfeldt, W.
履歴
登録2017年10月25日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02018年7月4日Provider: repository / タイプ: Initial release
改定 1.12018年10月24日Group: Data collection / Database references / カテゴリ: citation
Item: _citation.journal_id_ISSN / _citation.journal_volume ..._citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last
改定 1.22024年1月17日Group: Data collection / Database references / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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構造の表示

構造ビューア分子:
MolmilJmol/JSmol

ダウンロードとリンク

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集合体

登録構造単位
A: PqsC
B: PqsB
C: PqsC
D: PqsB
E: PqsC
F: PqsB
G: PqsC
H: PqsB
I: PqsC
J: PqsB
K: PqsC
L: PqsB
M: PqsC
N: PqsB
O: PqsC
P: PqsB
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)568,50224
ポリマ－566,82816
非ポリマー1,6748
水14,862825
1
A: PqsC
B: PqsB
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)71,0633
ポリマ－70,8542
非ポリマー2091
水362
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area5060 Å2
ΔGint-21 kcal/mol
Surface area22770 Å2
手法PISA
2
C: PqsC
D: PqsB
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)71,0633
ポリマ－70,8542
非ポリマー2091
水362
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area5040 Å2
ΔGint-22 kcal/mol
Surface area22490 Å2
手法PISA
3
E: PqsC
F: PqsB
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)71,0633
ポリマ－70,8542
非ポリマー2091
水362
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area5000 Å2
ΔGint-20 kcal/mol
Surface area22480 Å2
手法PISA
4
G: PqsC
H: PqsB
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)71,0633
ポリマ－70,8542
非ポリマー2091
水362
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area4970 Å2
ΔGint-21 kcal/mol
Surface area22550 Å2
手法PISA
5
I: PqsC
J: PqsB
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)71,0633
ポリマ－70,8542
非ポリマー2091
水362
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area4960 Å2
ΔGint-22 kcal/mol
Surface area22360 Å2
手法PISA
6
K: PqsC
L: PqsB
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)71,0633
ポリマ－70,8542
非ポリマー2091
水362
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area5040 Å2
ΔGint-21 kcal/mol
Surface area22560 Å2
手法PISA
7
M: PqsC
N: PqsB
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)71,0633
ポリマ－70,8542
非ポリマー2091
水362
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area5020 Å2
ΔGint-22 kcal/mol
Surface area22880 Å2
手法PISA
8
O: PqsC
P: PqsB
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)71,0633
ポリマ－70,8542
非ポリマー2091
水362
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area4990 Å2
ΔGint-22 kcal/mol
Surface area22620 Å2
手法PISA
単位格子
Length a, b, c (Å)121.429, 170.179, 148.385
Angle α, β, γ (deg.)90.000, 100.970, 90.000
Int Tables number4
Space group name H-MP1211
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID詳細
11(chain B and (resid 1 through 30 or (resid 31...
21(chain D and (resid 1 through 30 or (resid 31...
31(chain F and (resid 1 through 30 or (resid 31...
41(chain H and (resid 1 through 51 or (resid 52...
51(chain J and (resid 1 through 30 or (resid 31...
61(chain L and (resid 1 through 30 or (resid 31...
71(chain N and (resid 1 through 30 or (resid 31...
81(chain P and (resid 1 through 30 or (resid 31...
12(chain A and (resid -5 through -3 or (resid -2...
22(chain C and (resid -5 through -1 or resid 1...
32(chain E and (resid -5 through -3 or (resid -2...
42(chain G and (resid -5 through -3 or (resid -2...
52(chain I and (resid -5 through -3 or (resid -2...
62(chain K and (resid -5 through -3 or (resid -2...
72(chain M and (resid -5 through -3 or (resid -2...
82(chain O and (resid -5 through -3 or (resid -2...

NCSドメイン領域:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111METMETGLYGLY(chain B and (resid 1 through 30 or (resid 31...BB1 - 301 - 30
121ASPASPASPASP(chain B and (resid 1 through 30 or (resid 31...BB3131
131METMETGLUGLU(chain B and (resid 1 through 30 or (resid 31...BB1 - 2801 - 280
141METMETGLUGLU(chain B and (resid 1 through 30 or (resid 31...BB1 - 2801 - 280
151METMETGLUGLU(chain B and (resid 1 through 30 or (resid 31...BB1 - 2801 - 280
161METMETGLUGLU(chain B and (resid 1 through 30 or (resid 31...BB1 - 2801 - 280
211METMETGLYGLY(chain D and (resid 1 through 30 or (resid 31...DD1 - 301 - 30
221ASPASPASPASP(chain D and (resid 1 through 30 or (resid 31...DD3131
231METMETGLYGLY(chain D and (resid 1 through 30 or (resid 31...DD1 - 2791 - 279
241METMETGLYGLY(chain D and (resid 1 through 30 or (resid 31...DD1 - 2791 - 279
251METMETGLYGLY(chain D and (resid 1 through 30 or (resid 31...DD1 - 2791 - 279
261METMETGLYGLY(chain D and (resid 1 through 30 or (resid 31...DD1 - 2791 - 279
311METMETGLYGLY(chain F and (resid 1 through 30 or (resid 31...FF1 - 301 - 30
321ASPASPASPASP(chain F and (resid 1 through 30 or (resid 31...FF3131
331METMETGLUGLU(chain F and (resid 1 through 30 or (resid 31...FF1 - 2801 - 280
341METMETGLUGLU(chain F and (resid 1 through 30 or (resid 31...FF1 - 2801 - 280
351METMETGLUGLU(chain F and (resid 1 through 30 or (resid 31...FF1 - 2801 - 280
361METMETGLUGLU(chain F and (resid 1 through 30 or (resid 31...FF1 - 2801 - 280
411METMETVALVAL(chain H and (resid 1 through 51 or (resid 52...HH1 - 511 - 51
421LYSLYSPROPRO(chain H and (resid 1 through 51 or (resid 52...HH52 - 5352 - 53
431METMETGLUGLU(chain H and (resid 1 through 51 or (resid 52...HH1 - 2801 - 280
441METMETGLUGLU(chain H and (resid 1 through 51 or (resid 52...HH1 - 2801 - 280
451METMETGLUGLU(chain H and (resid 1 through 51 or (resid 52...HH1 - 2801 - 280
461METMETGLUGLU(chain H and (resid 1 through 51 or (resid 52...HH1 - 2801 - 280
471METMETGLUGLU(chain H and (resid 1 through 51 or (resid 52...HH1 - 2801 - 280
481METMETGLUGLU(chain H and (resid 1 through 51 or (resid 52...HH1 - 2801 - 280
511METMETGLYGLY(chain J and (resid 1 through 30 or (resid 31...JJ1 - 301 - 30
521ASPASPASPASP(chain J and (resid 1 through 30 or (resid 31...JJ3131
531METMETGLUGLU(chain J and (resid 1 through 30 or (resid 31...JJ1 - 2801 - 280
541METMETGLUGLU(chain J and (resid 1 through 30 or (resid 31...JJ1 - 2801 - 280
551METMETGLUGLU(chain J and (resid 1 through 30 or (resid 31...JJ1 - 2801 - 280
561METMETGLUGLU(chain J and (resid 1 through 30 or (resid 31...JJ1 - 2801 - 280
611METMETGLYGLY(chain L and (resid 1 through 30 or (resid 31...LL1 - 301 - 30
621ASPASPASPASP(chain L and (resid 1 through 30 or (resid 31...LL3131
631METMETGLUGLU(chain L and (resid 1 through 30 or (resid 31...LL1 - 2801 - 280
641METMETGLUGLU(chain L and (resid 1 through 30 or (resid 31...LL1 - 2801 - 280
651METMETGLUGLU(chain L and (resid 1 through 30 or (resid 31...LL1 - 2801 - 280
661METMETGLUGLU(chain L and (resid 1 through 30 or (resid 31...LL1 - 2801 - 280
711METMETGLYGLY(chain N and (resid 1 through 30 or (resid 31...NN1 - 301 - 30
721ASPASPASPASP(chain N and (resid 1 through 30 or (resid 31...NN3131
731METMETGLUGLU(chain N and (resid 1 through 30 or (resid 31...NN1 - 2801 - 280
741METMETGLUGLU(chain N and (resid 1 through 30 or (resid 31...NN1 - 2801 - 280
751METMETGLUGLU(chain N and (resid 1 through 30 or (resid 31...NN1 - 2801 - 280
761METMETGLUGLU(chain N and (resid 1 through 30 or (resid 31...NN1 - 2801 - 280
811METMETGLYGLY(chain P and (resid 1 through 30 or (resid 31...PP1 - 301 - 30
821ASPASPASPASP(chain P and (resid 1 through 30 or (resid 31...PP3131
831METMETGLYGLY(chain P and (resid 1 through 30 or (resid 31...PP1 - 2791 - 279
841METMETGLYGLY(chain P and (resid 1 through 30 or (resid 31...PP1 - 2791 - 279
851METMETGLYGLY(chain P and (resid 1 through 30 or (resid 31...PP1 - 2791 - 279
861METMETGLYGLY(chain P and (resid 1 through 30 or (resid 31...PP1 - 2791 - 279
112LEULEUPHEPHE(chain A and (resid -5 through -3 or (resid -2...AA-5 - -312 - 14
122GLNGLNGLNGLN(chain A and (resid -5 through -3 or (resid -2...AA-215
132LEULEUCYSCYS(chain A and (resid -5 through -3 or (resid -2...AA-5 - 34812 - 365
142LEULEUCYSCYS(chain A and (resid -5 through -3 or (resid -2...AA-5 - 34812 - 365
152LEULEUCYSCYS(chain A and (resid -5 through -3 or (resid -2...AA-5 - 34812 - 365
162LEULEUCYSCYS(chain A and (resid -5 through -3 or (resid -2...AA-5 - 34812 - 365
172LEULEUCYSCYS(chain A and (resid -5 through -3 or (resid -2...AA-5 - 34812 - 365
182LEULEUCYSCYS(chain A and (resid -5 through -3 or (resid -2...AA-5 - 34812 - 365
212LEULEUGLYGLY(chain C and (resid -5 through -1 or resid 1...CC-5 - -112 - 16
222METMETALAALA(chain C and (resid -5 through -1 or resid 1...CC1 - 1518 - 32
232ARGARGARGARG(chain C and (resid -5 through -1 or resid 1...CC1633
242ASNASNCYSCYS(chain C and (resid -5 through -1 or resid 1...CC-6 - 34811 - 365
252ASNASNCYSCYS(chain C and (resid -5 through -1 or resid 1...CC-6 - 34811 - 365
262ASNASNCYSCYS(chain C and (resid -5 through -1 or resid 1...CC-6 - 34811 - 365
272ASNASNCYSCYS(chain C and (resid -5 through -1 or resid 1...CC-6 - 34811 - 365
312LEULEUPHEPHE(chain E and (resid -5 through -3 or (resid -2...EE-5 - -312 - 14
322GLNGLNGLNGLN(chain E and (resid -5 through -3 or (resid -2...EE-215
332LEULEUCYSCYS(chain E and (resid -5 through -3 or (resid -2...EE-5 - 34812 - 365
342LEULEUCYSCYS(chain E and (resid -5 through -3 or (resid -2...EE-5 - 34812 - 365
352LEULEUCYSCYS(chain E and (resid -5 through -3 or (resid -2...EE-5 - 34812 - 365
362LEULEUCYSCYS(chain E and (resid -5 through -3 or (resid -2...EE-5 - 34812 - 365
372LEULEUCYSCYS(chain E and (resid -5 through -3 or (resid -2...EE-5 - 34812 - 365
382LEULEUCYSCYS(chain E and (resid -5 through -3 or (resid -2...EE-5 - 34812 - 365
412LEULEUPHEPHE(chain G and (resid -5 through -3 or (resid -2...GG-5 - -312 - 14
422GLNGLNGLNGLN(chain G and (resid -5 through -3 or (resid -2...GG-215
432LEULEUCYSCYS(chain G and (resid -5 through -3 or (resid -2...GG-5 - 34812 - 365
442LEULEUCYSCYS(chain G and (resid -5 through -3 or (resid -2...GG-5 - 34812 - 365
452LEULEUCYSCYS(chain G and (resid -5 through -3 or (resid -2...GG-5 - 34812 - 365
462LEULEUCYSCYS(chain G and (resid -5 through -3 or (resid -2...GG-5 - 34812 - 365
472LEULEUCYSCYS(chain G and (resid -5 through -3 or (resid -2...GG-5 - 34812 - 365
482LEULEUCYSCYS(chain G and (resid -5 through -3 or (resid -2...GG-5 - 34812 - 365
512LEULEUPHEPHE(chain I and (resid -5 through -3 or (resid -2...II-5 - -312 - 14
522GLNGLNGLNGLN(chain I and (resid -5 through -3 or (resid -2...II-215
532ASNASNCYSCYS(chain I and (resid -5 through -3 or (resid -2...II-6 - 34811 - 365
542ASNASNCYSCYS(chain I and (resid -5 through -3 or (resid -2...II-6 - 34811 - 365
552ASNASNCYSCYS(chain I and (resid -5 through -3 or (resid -2...II-6 - 34811 - 365
562ASNASNCYSCYS(chain I and (resid -5 through -3 or (resid -2...II-6 - 34811 - 365
572ASNASNCYSCYS(chain I and (resid -5 through -3 or (resid -2...II-6 - 34811 - 365
582ASNASNCYSCYS(chain I and (resid -5 through -3 or (resid -2...II-6 - 34811 - 365
612LEULEUPHEPHE(chain K and (resid -5 through -3 or (resid -2...KK-5 - -312 - 14
622GLNGLNGLNGLN(chain K and (resid -5 through -3 or (resid -2...KK-215
632LEULEUCYSCYS(chain K and (resid -5 through -3 or (resid -2...KK-5 - 34812 - 365
642LEULEUCYSCYS(chain K and (resid -5 through -3 or (resid -2...KK-5 - 34812 - 365
652LEULEUCYSCYS(chain K and (resid -5 through -3 or (resid -2...KK-5 - 34812 - 365
662LEULEUCYSCYS(chain K and (resid -5 through -3 or (resid -2...KK-5 - 34812 - 365
672LEULEUCYSCYS(chain K and (resid -5 through -3 or (resid -2...KK-5 - 34812 - 365
682LEULEUCYSCYS(chain K and (resid -5 through -3 or (resid -2...KK-5 - 34812 - 365
712LEULEUPHEPHE(chain M and (resid -5 through -3 or (resid -2...MM-5 - -312 - 14
722GLNGLNGLNGLN(chain M and (resid -5 through -3 or (resid -2...MM-215
732ASNASNCYSCYS(chain M and (resid -5 through -3 or (resid -2...MM-6 - 34811 - 365
742ASNASNCYSCYS(chain M and (resid -5 through -3 or (resid -2...MM-6 - 34811 - 365
752ASNASNCYSCYS(chain M and (resid -5 through -3 or (resid -2...MM-6 - 34811 - 365
762ASNASNCYSCYS(chain M and (resid -5 through -3 or (resid -2...MM-6 - 34811 - 365
772ASNASNCYSCYS(chain M and (resid -5 through -3 or (resid -2...MM-6 - 34811 - 365
782ASNASNCYSCYS(chain M and (resid -5 through -3 or (resid -2...MM-6 - 34811 - 365
812LEULEUPHEPHE(chain O and (resid -5 through -3 or (resid -2...OO-5 - -312 - 14
822GLNGLNGLNGLN(chain O and (resid -5 through -3 or (resid -2...OO-215
832LEULEUCYSCYS(chain O and (resid -5 through -3 or (resid -2...OO-5 - 34812 - 365
842LEULEUCYSCYS(chain O and (resid -5 through -3 or (resid -2...OO-5 - 34812 - 365
852LEULEUCYSCYS(chain O and (resid -5 through -3 or (resid -2...OO-5 - 34812 - 365
862LEULEUCYSCYS(chain O and (resid -5 through -3 or (resid -2...OO-5 - 34812 - 365
872LEULEUCYSCYS(chain O and (resid -5 through -3 or (resid -2...OO-5 - 34812 - 365
882LEULEUCYSCYS(chain O and (resid -5 through -3 or (resid -2...OO-5 - 34812 - 365

NCSアンサンブル:
ID
1
2

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要素

#1: タンパク質
PqsC


分子量: 40321.777 Da / 分子数: 8 / 由来タイプ: 組換発現
由来: (組換発現) Pseudomonas aeruginosa PAO1 (緑膿菌)
遺伝子: pqsC, PA0998 / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: Q9I4X1
#2: タンパク質
PqsB


分子量: 30531.760 Da / 分子数: 8 / 由来タイプ: 組換発現
由来: (組換発現) Pseudomonas aeruginosa PAO1 (緑膿菌)
遺伝子: pqsB, PA0997 / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: Q9I4X2
#3: 化合物
ChemComp-MPO / 3[N-MORPHOLINO]PROPANE SULFONIC ACID / MOPS / MOPS (緩衝剤)


分子量: 209.263 Da / 分子数: 8 / 由来タイプ: 合成 / 式: C7H15NO4S / コメント: pH緩衝剤*YM
#4: 水 ChemComp-HOH / water / 水


分子量: 18.015 Da / 分子数: 825 / 由来タイプ: 天然 / 式: H2O

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実験情報

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実験

実験手法: X線回折 / 使用した結晶の数: 1

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試料調製

結晶マシュー密度: 2.71 Å3/Da / 溶媒含有率: 54.66 %
結晶化温度: 293 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 7.7
詳細: 0.1 M MOPS (pH 7.7), 0.1 M Magnesium acetate, 15% PEG 6000

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データ収集

回折平均測定温度: 100 K
放射光源由来: シンクロトロン / サイト: PETRA III, DESY / ビームライン: P11 / 波長: 1.0332 Å
検出器タイプ: DECTRIS PILATUS 6M-F / 検出器: PIXEL / 日付: 2015年8月4日
放射プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長波長: 1.0332 Å / 相対比: 1
反射解像度: 2.6→49.61 Å / Num. obs: 181283 / % possible obs: 99.9 % / 冗長度: 6.9 % / Biso Wilson estimate: 45.29 Å2 / CC1/2: 0.996 / Rmerge(I) obs: 0.133 / Rpim(I) all: 0.054 / Rrim(I) all: 0.144 / Net I/σ(I): 12
反射 シェル

Diffraction-ID: 1

解像度 (Å)冗長度 (%)Rmerge(I) obsNum. unique obsCC1/2Rpim(I) allRrim(I) all% possible all
2.6-2.647.11.01389980.6860.4091.09499.9
14.24-49.616.90.04511270.9980.0180.04997.6

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解析

ソフトウェア
名称バージョン分類
PHENIXdev_2875精密化
Aimless0.5.12データスケーリング
PDB_EXTRACT3.22データ抽出
Cootモデル構築
PHASER位相決定
XDSデータ削減
精密化構造決定の手法: 分子置換
開始モデル: 6ET1

6et1


解像度: 2.6→48.982 Å / SU ML: 0.35 / 交差検証法: FREE R-VALUE / σ(F): 1.35 / 位相誤差: 22.71
Rfactor反射数%反射
Rfree0.2201 8942 4.93 %
Rwork0.1839 --
obs0.1857 181226 99.9 %
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å
原子変位パラメータBiso max: 196.25 Å2 / Biso mean: 57.3935 Å2 / Biso min: 12.56 Å2
精密化ステップサイクル: final / 解像度: 2.6→48.982 Å
タンパク質核酸リガンド溶媒全体
原子数38631 0 216 825 39672
Biso mean--74.83 36.45 -
残基数----5073
拘束条件
Refine-IDタイプDev ideal数
X-RAY DIFFRACTIONf_bond_d0.00339605
X-RAY DIFFRACTIONf_angle_d0.59653835
X-RAY DIFFRACTIONf_chiral_restr0.0455991
X-RAY DIFFRACTIONf_plane_restr0.0047111
X-RAY DIFFRACTIONf_dihedral_angle_d12.88523851
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-ID数Refine-IDRmsタイプ
11B12981X-RAY DIFFRACTION6.391TORSIONAL
12D12981X-RAY DIFFRACTION6.391TORSIONAL
13F12981X-RAY DIFFRACTION6.391TORSIONAL
14H12981X-RAY DIFFRACTION6.391TORSIONAL
15J12981X-RAY DIFFRACTION6.391TORSIONAL
16L12981X-RAY DIFFRACTION6.391TORSIONAL
17N12981X-RAY DIFFRACTION6.391TORSIONAL
18P12981X-RAY DIFFRACTION6.391TORSIONAL
21A16327X-RAY DIFFRACTION6.391TORSIONAL
22C16327X-RAY DIFFRACTION6.391TORSIONAL
23E16327X-RAY DIFFRACTION6.391TORSIONAL
24G16327X-RAY DIFFRACTION6.391TORSIONAL
25I16327X-RAY DIFFRACTION6.391TORSIONAL
26K16327X-RAY DIFFRACTION6.391TORSIONAL
27M16327X-RAY DIFFRACTION6.391TORSIONAL
28O16327X-RAY DIFFRACTION6.391TORSIONAL
LS精密化 シェル

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 30

解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.6-2.62950.32843170.284457236040100
2.6295-2.66050.3313090.277957066015100
2.6605-2.69290.30113030.267757676070100
2.6929-2.7270.30932810.256356855966100
2.727-2.76290.28762900.257857206010100
2.7629-2.80070.31843120.250857076019100
2.8007-2.84070.29082910.243857386029100
2.8407-2.88310.28813290.240457216050100
2.8831-2.92820.26663100.238257176027100
2.9282-2.97620.27072460.237857626008100
2.9762-3.02750.2772900.237158046094100
3.0275-3.08250.29842930.235156875980100
3.0825-3.14180.25463200.229357166036100
3.1418-3.20590.2612930.216657336026100
3.2059-3.27560.24152990.20557216020100
3.2756-3.35180.24812980.203957086006100
3.3518-3.43560.26273040.200557466050100
3.4356-3.52850.23122990.195257546053100
3.5285-3.63230.23212720.188857366008100
3.6323-3.74950.21072950.17157606055100
3.7495-3.88340.21313020.169457336035100
3.8834-4.03890.20813000.163957636063100
4.0389-4.22260.16812790.144557346013100
4.2226-4.44510.17252770.138357816058100
4.4451-4.72330.1632920.134457476039100
4.7233-5.08770.15643020.132458126114100
5.0877-5.5990.19433280.154256996027100
5.599-6.40770.19812920.163157916083100
6.4077-8.06720.20143200.172357716091100
8.0672-48.99040.17412990.16275842614199
精密化 TLS

手法: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
11.3475-0.5635-0.67961.56120.98680.80120.10330.3194-0.2497-0.33120.0414-0.43940.00180.266-0.1450.3406-0.01270.06920.503-0.14360.56122.3063-7.219360.2692
21.33950.404-0.0631.39740.25961.20750.1270.053-0.03220.01420.008-0.10450.04090.1903-0.15760.194-0.00870.03260.3219-0.03460.297411.1344-6.601364.4691
32.28620.74160.2742.45720.27430.9838-0.05270.4686-0.031-0.45060.1745-0.4315-0.13110.447-0.12030.3612-0.05540.15780.5001-0.0680.386117.591-0.011350.8068
41.3244-1.05-0.32643.5636-0.58851.8630.1852-0.0358-0.190.1001-0.23460.37360.2139-0.01040.01050.2152-0.0567-0.02210.3006-0.04490.2975-13.4712-22.027162.8689
52.3906-1.63380.38168.297-0.70362.8469-0.06940.28330.1219-0.46260.19190.22870.0978-0.1385-0.12970.2872-0.01850.02760.3441-0.00130.2437-10.6616-9.341452.8456
62.3749-1.62920.0865.7143-1.68330.6680.10650.1544-0.1215-0.308-0.0333-0.20630.1338-0.0484-0.0440.25740.00150.02360.3061-0.07480.2307-1.1174-16.426549.9561
73.14320.1163-0.66352.8917-0.89674.25180.04030.2035-0.0271-0.214-0.1349-0.04310.1070.19320.14570.2342-0.02180.03870.2908-0.0520.3237-2.4508-1.919761.0026
80.33440.26290.29212.6961.30071.150.20020.0267-0.039-0.2872-0.0841-0.26680.33630.1127-0.05180.20030.00640.02670.2872-0.0260.3562-5.8754-18.358863.385
92.8239-1.29320.89716.6732-0.1512.5640.0663-0.17710.04680.6727-0.0423-0.2822-0.0941-0.1006-0.00710.0867-0.08080.0540.3053-0.05270.2723-6.4245-8.362474.442
102.98530.52170.30571.2133-0.82544.3450.12250.0991-0.53120.21350.0627-0.3550.71960.2018-0.03650.3621-0.0107-0.06750.2101-0.00760.48623.6673-29.568166.4006
111.9457-1.8107-0.15874.35221.90313.80950.1199-0.2314-0.12270.3838-0.20370.3650.4384-0.32450.12010.3478-0.09610.0780.3559-0.05610.2946-15.0649-13.836177.6798
125.5376-0.75853.48443.2822-1.24546.47810.1875-0.1540.2025-0.2888-0.19120.2894-0.0909-0.4594-0.00330.3102-0.02950.080.2477-0.07480.4017-18.816-7.618868.8917
136.1531-5.8249-1.59257.8149-0.72042.70560.24090.1280.1495-0.2011-0.04940.31190.063-0.0381-0.27520.2363-0.1662-0.04490.3278-0.05150.2907-9.9241-6.409271.7108
140.48820.0705-0.4210.6553-0.53730.60380.04810.1668-0.0104-0.183-0.19310.0733-0.1842-0.1740.06750.22010.0597-0.03590.35320.03120.3102-77.152-45.619544.0261
154.6182-5.2292-5.50489.67184.54857.32970.56350.27810.0953-0.2337-0.44070.94680.0711-0.5325-0.14880.52890.0214-0.14390.4464-0.12250.5679-83.4866-67.522220.7338
161.5449-0.08260.53033.30461.71353.2501-0.09970.29960.0698-0.10110.0863-0.3429-0.12980.3809-0.00250.20620.04060.03570.40230.03310.37-64.9915-57.158742.2989
170.3054-0.4764-0.11112.95652.42043.4996-0.05790.068-0.06020.168-0.12930.22890.115-0.12660.22310.22870.02390.03620.31920.02950.3548-75.6807-56.782245.1794
181.6562-0.54080.08313.62380.62591.90540.0641-0.02050.01590.24910.03990.25180.0626-0.1028-0.09760.14080.0288-0.00520.32750.04840.2592-82.8248-55.454846.2943
195.25823.7891.52642.92490.5169.2477-0.29190.63450.0588-0.2668-0.0650.43610.3835-0.12120.25360.38510.0314-0.02010.3822-0.09450.447-79.1779-78.039832.7827
203.39052.21552.27583.32581.23793.77510.0280.1024-0.07910.03660.03220.62590.2268-0.0920.01350.18910.03630.0250.43220.0270.5702-96.6161-56.087742.717
212.0117-0.87370.29013.4730.38431.9035-0.02950.15940.0966-0.2152-0.03020.35-0.2801-0.29180.05820.25660.0384-0.02980.35840.03040.3562-86.4952-47.346736.2934
222.6347-0.9536-0.92552.95551.63871.833-0.1295-0.22-0.34650.60970.05520.55470.2013-0.15790.07630.4742-0.00040.10780.32940.07340.3169-78.7071-75.486667.7262
234.25185.43142.39166.9412.82292.022-0.0147-0.1203-1.12930.08680.1619-0.30270.47380.1692-0.07810.46570.03810.00590.41530.07640.3813-69.7199-83.58961.4701
241.3597-1.5982-0.08244.69821.89473.87370.0381-0.1419-0.31350.47890.14090.41620.3371-0.4076-0.15360.2874-0.02610.10290.40960.10150.4913-87.8299-70.914961.1028
255.2433-4.9263-3.17255.38223.17886.92940.1530.0321-0.5691-0.0758-0.08170.65660.5059-0.4832-0.1020.2618-0.015-0.03970.33340.04190.3739-84.9036-74.755249.985
260.5975-0.47880.81063.9757-0.15581.4954-0.0252-0.1008-0.0580.12620.05410.16740.0153-0.2406-0.010.26040.0190.05860.32380.0340.256-78.3951-65.638558.6675
272.9761-0.4733-0.39916.11182.24183.91830.2079-0.09880.30020.28890.0048-0.34540.07760.1026-0.23170.30990.0337-0.00550.2390.09550.1638-68.7837-61.036565.5222
284.29182.2283.10041.23691.48176.55590.2226-0.0156-0.40530.16470.1772-0.51990.78220.234-0.41490.37010.1763-0.00520.3310.0420.4891-63.6587-78.807348.7605
296.6177-0.0585-1.64663.18840.91611.9691-0.2924-0.71810.16710.9760.2147-0.59410.55310.64310.04690.52250.1683-0.07540.38130.01550.3172-62.2177-62.712872.8496
301.93341.0842-0.20433.79292.99853.08780.035-0.2782-0.42981.1970.0719-0.38010.36520.0683-0.1120.56940.0546-0.06210.38860.06240.3451-67.8191-70.558273.8851
315.05071.1713-1.65324.5988-3.38158.25830.0356-0.4381-0.31460.2410.08670.2649-0.0387-0.5955-0.11790.3950.0279-0.04470.31680.04630.2576-75.1992-64.710872.1875
324.35083.95662.78454.31852.89062.15710.4672-0.37480.01980.9866-0.373-0.57790.27460.0329-0.15040.70540.0306-0.23740.5140.03090.7061-50.4891-40.639393.4354
330.29560.6693-0.38375.69211.03411.42-0.1703-0.28980.16251.43520.2593-0.8688-0.13570.4341-0.07191.21850.0747-0.42430.7408-0.01580.8182-43.7146-23.8938113.5351
342.0259-0.28530.53333.5530.94592.6730.0819-0.0250.07690.19020.0621-1.0036-0.02110.6038-0.17360.31980.0114-0.06550.47120.0330.5928-49.4679-28.239383.6267
356.59672.071-1.87374.9794-3.42273.08990.2044-0.09250.2312-0.104-0.405-0.40260.45870.09290.14720.42630.0956-0.09640.355-0.00560.4518-59.5542-38.245987.5917
361.3845-0.24240.18452.0099-0.29331.07710.1908-0.1791-0.01710.5427-0.2118-0.47850.10190.1728-0.01260.56190.0211-0.12680.4480.0430.4024-56.2995-33.123896.5535
372.5-2.14241.18697.1551-1.62572.7350.5853-0.84720.58521.4089-0.2884-0.0955-0.04350.6012-0.26630.9229-0.1403-0.15960.6343-0.15120.4762-57.3414-15.5076108.0361
381.5451-0.45750.58963.08050.12850.72880.0702-0.3614-0.22811.0750.0247-0.70920.26230.2218-0.09390.81590.0577-0.25910.55130.04840.5674-52.6322-44.042104.3831
390.28410.36190.57095.28090.67531.1460.0659-0.1723-0.01930.2185-0.11410.4885-0.0259-0.25770.0490.3688-0.00830.08850.4652-0.08340.4148-82.2542-21.557185.4798
404.5905-0.3888-2.96991.72210.54896.47940.0183-0.09980.24720.2928-0.39880.0261-0.9944-0.54670.35850.4812-0.00760.02090.2634-0.06310.3732-75.9872-9.806383.4469
414.99653.64920.58566.74260.76573.62280.2873-0.57690.35260.7884-0.11430.76750.17-0.2287-0.11970.6210.02770.17850.432-0.02990.4003-83.7376-24.839395.5097
422.55681.85791.30887.16120.66142.6096-0.1-0.1548-0.1150.6437-0.07210.0687-0.1707-0.15940.18660.6341-0.01970.09010.442-0.0680.3324-72.5937-24.451197.4806
436.9953-3.3038-4.3573.74812.81922.9956-0.1243-0.20320.0320.70580.0440.1928-0.0988-0.07980.12950.5976-0.0782-0.02250.3923-0.05990.3073-71.6478-30.767797.6784
442.0842-1.5686-0.36575.8686-0.38512.66930.106-0.0487-0.01720.5641-0.03040.16280.2085-0.1415-0.07930.4013-0.0311-0.03810.339-0.01510.2653-71.6929-27.237686.265
452.35971.15291.62367.04962.22691.52260.03140.4367-0.2696-0.14820.0313-0.4599-0.0836-0.1126-0.03820.29280.1414-0.02350.3466-0.02640.2722-70.4503-30.700875.8309
465.144-0.45831.19591.59520.16088.1515-0.1708-0.29970.5797-0.1391-0.0137-0.5979-0.85560.19640.10940.509-0.0547-0.010.28390.02230.5147-61.2426-9.523984.8442
479.2052.1787-2.60092.8085-3.35014.05490.3290.2220.4266-0.307-0.55140.2447-0.0402-0.06540.2190.43290.10150.03770.3624-0.01110.2608-73.9508-28.428866.9494
482.08832.26640.05184.17971.95471.95360.2617-0.21910.37540.0276-0.59950.3376-0.2087-0.34060.32820.43750.0473-0.04240.3735-0.05370.3197-80.3825-23.508572.5256
493.39363.2808-1.95783.5253-0.80695.13230.28010.01120.21050.29-0.26510.44050.091-0.5796-0.04630.48190.00310.03370.3191-0.06290.446-83.9765-30.440878.4732
506.43215.2588-1.56374.4788-2.18725.4457-0.19770.1474-0.0916-0.14140.21670.10240.267-0.37870.0190.43920.11430.03270.1896-0.03050.3954-74.7676-32.303277.9505
516.88074.2653-2.59364.2526-2.61271.77110.62170.522-0.35350.9188-0.05420.4565-0.3809-0.3251-0.55330.67680.19910.04810.6346-0.09570.5842-30.6567-91.912210.2563
523.78750.8266-1.51771.911-0.26733.30410.17670.1973-0.54390.0681-0.06640.64060.3018-0.4346-0.11070.58150.1008-0.07790.6774-0.03870.9498-39.4074-105.909112.864
531.1303-0.0104-0.54742.8591-0.07431.11980.14090.0382-0.31750.0075-0.16550.4027-0.1414-0.2718-0.00490.48150.0914-0.03660.5338-0.0020.5381-25.0438-102.644511.764
545.1315-1.8821-0.5365.992-0.82790.33040.1446-0.2715-0.19440.3966-0.00760.7905-0.3399-0.184-0.11510.58790.13390.09650.6908-0.00560.4493-32.5456-88.460821.2318
551.50960.5671-0.06671.1447-0.42492.37370.0786-0.1361-0.3218-0.0585-0.2885-0.280.34490.27620.18160.56780.0277-0.00360.50480.16920.4523-0.2988-116.295811.852
562.65330.6003-0.08444.88341.4790.4757-0.1016-0.1405-0.15860.83380.07950.07320.21420.05460.01740.71880.0120.00870.56090.17460.3974-7.3484-107.50922.6328
574.58910.7349-1.49738.2383-3.03744.46460.1303-0.4743-0.20380.3158-0.10750.1904-0.08860.0078-0.01210.39840.07090.0040.42060.04410.2909-11.0093-97.93217.1499
580.9823-0.6647-0.43696.11590.33742.28350.08250.0401-0.1725-0.4761-0.2288-0.3034-0.05740.00190.12060.42810.02940.04380.55430.04180.3596-7.6057-111.534411.5898
592.23941.8837-0.56176.3909-1.46812.29110.0620.23790.0753-0.523-0.03750.52090.2086-0.0143-0.00870.41840.1712-0.01580.47970.04710.3994-11.0036-111.28563.1855
604.43235.46393.90126.75114.51655.88-0.30670.63-0.2586-1.03220.2676-0.36330.65830.24690.15150.85460.17710.0410.64290.05870.51380.7271-104.0028-6.2947
611.81842.74451.09064.25621.51010.6065-0.13270.1945-0.3909-0.4534-0.1959-1.07970.07750.26390.32210.81190.09470.12220.52130.14590.53634.6793-109.43941.2819
629.63954.60294.18253.86721.33037.02640.5283-0.1217-0.12780.0527-0.423-0.39250.08240.5421-0.10450.6240.12570.0510.42420.07830.56995.9454-101.8448.0282
635.63115.98823.67989.865.86688.5810.02560.1495-0.2505-0.40890.1894-0.3874-0.25940.3502-0.29260.5190.11950.07040.42920.06430.3958-2.397-100.00674.2527
640.24770.0403-0.1922.6841-1.7613.6931-0.22050.0742-0.0583-0.4836-0.1765-0.38840.47370.14290.41650.18830.01690.12120.4071-0.0230.3841-5.3825-73.28240.7807
655.0241.3607-3.11882.7866-2.46752.9744-0.04260.54440.1305-0.5594-0.1874-0.65170.06130.06580.09680.3761-0.00280.11610.42660.05280.4223-5.1583-60.429229.2203
661.042-0.61380.34264.9439-2.31821.73460.03220.1258-0.0288-0.1589-0.0455-0.05680.175-0.04890.01330.1773-0.01730.05210.3533-0.02780.2518-18.7879-61.636343.261
674.8649-3.0952.17972.2296-1.03843.5091-0.1061-0.1150.1241-0.012-0.0692-0.1416-0.18090.10320.14540.232-0.01170.08190.1956-0.01960.2911-9.9576-69.586649.4971
680.3647-0.11770.14613.7344-2.16142.2392-0.2050.2804-0.0948-0.0604-0.1118-0.4052-0.013-0.02650.35910.2021-0.01510.05280.3349-0.02250.377-5.2747-60.448338.6832
691.4965-0.0203-0.17432.2862-0.78491.4409-0.07510.0817-0.05680.2289-0.0823-0.42320.08580.17580.14310.20210.0280.07730.36810.0170.4132-1.1801-67.5347.111
707.77911.0542-2.23873.17244.61678.6975-0.37271.2650.3297-0.8619-0.0403-0.6748-0.65010.03350.42040.3475-0.07390.04160.3850.20290.61941.2804-42.320135.6135
714.94713.3007-0.60473.6133-0.381.30230.006-0.01020.2288-0.1848-0.3358-0.83370.05750.5590.3320.24640.0680.1170.49820.08670.636512.8919-67.476847.062
722.24010.00670.11460.7456-0.16831.8769-0.16420.28-0.2525-0.3979-0.0706-0.46620.44420.36420.20150.37190.06430.20870.42020.02980.55644.496-74.975337.8099
733.3658-0.3748-0.21153.0117-0.06721.7945-0.1531-0.10110.41550.29590.0154-0.171-0.3638-0.05070.16350.2524-0.0055-0.04640.198-0.02720.2411-12.3902-44.039264.9406
740.9368-0.4270.00984.4226-2.37964.492-0.033-0.05920.0420.2105-0.1178-0.3629-0.21880.33030.16480.1697-0.0427-0.03520.34060.01620.38760.2223-51.495660.6292
753.16112.7311-1.97234.9193-0.30293.30490.07930.2827-0.0991-0.023-0.1144-0.45820.00150.00790.02060.17810.0269-00.2250.02980.2989-2.7643-62.558558.4904
762.8761-0.2409-0.71721.95811.04770.8103-0.0707-0.14650.18880.18220.03910.06-0.1135-0.06780.00920.2313-0.04770.0240.27740.03560.3046-11.1548-50.012358.8044
771.2914-0.2990.0313.7534-1.51193.73850.0948-0.0264-0.09790.0314-0.00620.36710.2063-0.3005-0.06270.1857-0.02620.06050.1786-0.05150.184-20.1217-61.391761.5632
784.87372.5896-1.45312.3162-0.77233.0191-0.21550.18650.7811-0.20.37870.3976-0.1208-0.2265-0.22540.23840.0899-0.05380.27340.01470.382-17.5266-41.835546.5916
794.5657-2.93323.79853.2692-0.19128.8495-0.1401-0.33970.17650.71440.25220.3832-0.3749-0.5267-0.14730.1196-0.0020.10870.2701-0.02630.3241-28.1036-59.622966.7882
800.03990.3072-0.18084.0413-1.92961.51830.0594-0.14380.13930.4445-0.13460.2502-0.0190.03880.05150.28460.00910.05630.3027-0.0130.4417-22.2469-52.159470.3722
815.8368-0.24033.75585.6953-3.64316.8364-0.1365-0.36740.16380.649-0.1163-0.3835-0.59220.12060.18290.235-0.02890.05060.2409-0.00190.2759-14.6379-57.885573.7716
828.8941-5.02146.79317.9724-6.81148.37060.115-0.0613-0.5525-0.11480.17970.1175-0.01960.2118-0.22210.1633-0.01940.12490.1828-0.02620.2398-16.7731-61.742765.3697
831.19070.75231.23243.1721.78242.28030.00060.16510.27010.39720.0106-0.45630.01280.427-0.03970.3544-0.0094-0.05610.44350.09010.4782-32.4092-39.534625.7638
840.2815-0.15370.71531.2496-0.13671.59770.03240.18330.1046-0.2016-0.102-0.0419-0.08630.32290.0680.2665-0.0361-0.01620.45380.05770.3617-41.2337-39.978817.5156
853.2272-0.6045-0.21354.8585-2.1832.62530.1204-0.62470.47070.6183-0.2942-0.0897-0.34570.5090.12050.5062-0.0683-0.12030.4258-0.06480.3902-45.8429-24.192836.3077
861.6044-1.39090.27044.02940.43252.6322-0.0518-0.086-0.03680.02120.133-0.08780.1310.2227-0.09110.18480.0062-0.03070.34450.01840.2364-39.2137-52.098831.6934
872.25671.80190.5151.93420.10440.3127-0.03410.05840.2332-0.9183-0.08710.73010.0081-0.02140.1660.37240.002-0.0450.37290.01960.3009-67.081-30.20949.8781
883.0813-0.6124-1.93472.415-2.51765.10890.25620.25490.36940.02910.00340.245-0.5477-0.2845-0.25640.4263-0.0713-0.06860.29950.00560.4011-61.3657-18.05549.342
895.6443.33211.27674.44181.97034.7217-0.62540.250.4290.40860.80871.1713-0.1127-0.50760.02230.27530.0025-0.00940.41390.07830.3337-69.6506-34.264619.411
901.04490.43251.12982.33891.12971.9684-0.00980.19320.00810.21170.35360.24510.08660.0685-0.29830.28580.0312-0.03530.36610.08280.313-61.7088-39.514520.6687
914.26431.8713-0.66145.9619-1.81524.17930.0015-0.1919-0.03790.1285-0.0808-0.0237-0.5015-0.18990.10120.2838-0.0162-0.06170.33650.00140.2787-57.7704-29.883926.2278
922.8054-2.74120.64155.2051.78332.5259-0.08480.02030.0154-0.1037-0.09020.0163-0.05180.11730.1960.2171-0.0421-0.04030.34770.04590.2247-55.1087-44.506115.535
930.8867-1.12140.03721.4945-0.45681.04120.04920.19790.14620.0214-0.0540.0126-0.2675-0.08270.03810.3497-0.0621-0.07810.32410.04030.2665-57.5232-29.007112.2839
941.25430.70490.63415.09140.63432.9399-0.03540.2571-0.0172-0.77530.0267-0.1904-0.00070.2435-0.00760.22310.0388-0.05430.33890.03210.2047-53.5543-38.05651.373
951.7752-0.51830.52242.58133.5066.1662-0.08480.13240.4407-0.2998-0.044-0.3669-1.05930.07210.04430.4732-0.1297-0.11930.34780.18880.523-46.8835-17.081312.6211
968.40935.77781.04964.63612.71796.068-0.16761.05260.3434-0.45150.32650.4033-0.02960.4303-0.20640.51690.1044-0.00870.4640.09440.2363-56.0699-35.0397-7.8641
970.69140.1502-0.07452.76582.19561.81910.21810.22750.0961-0.6936-0.41640.5039-0.1412-0.28490.19460.64590.0019-0.15410.45180.05080.3664-63.4049-30.6749-2.6293
986.01921.1709-1.55667.0354-0.86135.7998-0.04370.2984-0.0029-0.2934-0.05050.78410.5471-0.38660.09360.3866-0.0235-0.09040.2873-0.02620.2634-67.3009-38.77892.1305
996.93944.0192.87278.1365-0.47954.5245-0.2075-0.44450.0247-0.62440.00290.21890.1412-0.2390.10340.34460.1058-0.06840.39890.00230.234-58.0405-40.1082.8382
1000.59960.17230.69840.9869-0.33112.3263-0.1304-0.430.30080.9170.0457-0.37840.3559-0.13840.03241.56970.2555-0.00810.575-0.19810.092-63.187127.155932.863
1013.03320.8237-1.66029.1956-2.64131.43520.4594-0.80640.10140.836-0.9673-1.3533-0.09790.01270.58921.8706-0.0919-0.24310.99380.17740.602-55.70839.076652.4109
1021.5022-0.17651.1481.0105-0.40431.3712-0.0384-0.8461-0.04830.6025-0.17130.0749-0.0192-1.00530.0191.57420.12540.4820.8893-0.08590.2032-76.799318.325737.2162
1032.01190.8150.95794.8415-0.86770.78840.0943-0.7110.22251.0866-0.09480.4771-0.2666-0.3771-0.00170.82480.04290.1240.7371-0.05420.3-75.140315.775425.7046
1044.36691.2946-0.46071.7323-0.2342.6808-0.2349-0.10450.04810.3934-0.0371-0.0943-0.2060.07180.28810.79370.0272-0.06490.428-0.03570.2753-64.349523.364823.035
1050.85670.62610.42220.6180.62960.77810.0871-0.405-0.11591.269-0.3407-0.4379-0.3903-0.02790.17911.1422-0.1053-0.1280.63590.0220.3819-60.384317.87831.4966
1063.9977-0.8620.26346.78830.35655.449-0.0841-1.0848-0.59081.9879-0.6282-0.7663-0.1570.22720.65811.3547-0.0211-0.16770.65960.15140.57-59.7656-4.161640.0782
1070.4140.65030.27582.69050.53734.07110.1534-0.40930.00071.871-0.4387-1.7944-0.30920.0777-0.28331.5417-0.1902-0.50210.6468-0.08130.1354-50.787125.314539.2789
1082.4934-0.31160.88171.0570.35621.46370.0153-0.9527-0.03861.20140.22720.4854-0.2569-0.177-0.06241.5603-0.0521-0.31580.5867-0.09270.1432-57.157631.163934.8733
1092.6393-1.1485-0.38552.599-1.1242.08890.0306-0.1502-0.59120.15320.0459-0.2740.3037-0.1289-0.04470.4159-0.0359-0.12130.27610.01530.2556-61.9526-2.39528.0302
1101.2574-0.73790.15293.2989-1.28712.020.0856-0.0731-0.19990.6532-0.1171-0.6113-0.1580.11280.02910.568-0.0736-0.18070.36910.02850.4205-52.82659.648516.9158
1111.7416-1.24841.03361.1874-0.18792.1691-0.0371-0.2701-0.28330.27770.10990.09320.0657-0.1198-0.11680.4371-0.0164-0.01930.35850.06090.2836-63.62513.0114.3077
1122.37180.32650.05263.6653-1.03862.88040.1644-0.2296-0.28380.4860.05060.23030.0278-0.4616-0.230.4436-0.0270.03790.359-0.01020.1918-71.44226.523415.0388
1135.23986.0959-5.23047.0354-6.14445.2993-0.41250.2828-0.2142-0.57430.49350.66870.0236-0.6572-0.12180.36440.0141-0.06320.36110.02470.4151-75.360613.61810.4673
1141.3113-0.6931-0.27996.5326-3.87392.69890.04240.0514-0.3536-0.83760.23240.49210.4167-0.1808-0.26840.4951-0.039-0.09730.3568-0.0160.4135-68.82925.8754-0.6461
1153.70061.7613-4.31574.5306-1.8095.0241-0.02050.214-0.24110.0393-0.067-0.49310.1060.03580.0580.3438-0.0157-0.06740.30150.01560.3371-60.346711.3208-1.0951
1162.8783.5651-4.35635.3832-4.01789.0288-0.1551-0.10980.15350.05590.0218-0.1124-0.1555-0.07380.14630.47760.054-0.00790.28230.00660.2126-65.263515.42785.8683
1170.9414-0.7408-0.58740.6116-0.4645.66580.05750.0668-0.3481-0.3192-0.15820.17820.1582-0.12190.19250.7278-0.12230.15250.4312-0.07130.5998-10.7499-8.864715.3965
1185.7822-2.4785-4.82913.54082.17224.21070.0091-0.40740.45990.46350.1780.2707-0.0115-0.5617-0.18310.6011-0.12050.15730.8685-0.06850.4695-20.955317.06945.5347
1192.4721-2.245-1.21475.43940.73987.5523-0.1473-0.3472-0.24170.37470.0503-0.20380.74270.20940.09890.3771-0.11950.06810.41220.06590.3949-1.54775.909331.8573
1203.5845-4.5143-3.26529.08191.07796.5234-0.1165-0.370.17460.17160.2968-0.4389-0.00780.7559-0.14560.3965-0.1050.01890.4639-0.00330.37752.957116.637729.0201
1217.0740.628-0.00643.88510.09165.3438-0.3470.4704-0.32-0.4052-0.1052-0.110.1859-0.39770.4550.4632-0.13120.00490.41870.04620.2658-7.95315.390819.8063
1222.0383-0.3608-0.86682.44980.1242.725-0.07880.19350.0006-0.24960.05220.25870.1696-0.43990.03920.477-0.12690.03410.5650.0540.3885-14.937210.766226.2604
1231.5818-0.0265-0.20792.81610.07062.3907-0.08040.0755-0.21840.08050.00430.53290.375-0.84080.08820.4785-0.18410.10310.74060.00410.4638-24.10826.483429.2414
1242.2821-0.27-0.89382.769-0.20191.0946-0.09330.38340.3507-0.43230.20510.2981-0.047-0.438-0.13020.5634-0.0491-0.00690.55620.10420.3741-10.19624.121110.5104
1252.7323-0.5213-0.75922.26361.13132.2920.0709-0.06620.35990.00880.0796-0.06850.07670.005-0.18640.5768-0.06630.06370.33180.1210.38292.599122.126417.0988
1262.296-0.3710.08071.25570.42873.9802-0.0920.50840.4034-0.68090.1852-0.29120.0188-0.3193-0.05340.7819-0.07180.13970.48620.12160.42524.4719.00991.902
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid -5 through 69 )A-5 - 69
2X-RAY DIFFRACTION2chain 'A' and (resid 70 through 212 )A70 - 212
3X-RAY DIFFRACTION3chain 'A' and (resid 213 through 348 )A213 - 348
4X-RAY DIFFRACTION4chain 'B' and (resid 1 through 33 )B1 - 33
5X-RAY DIFFRACTION5chain 'B' and (resid 34 through 67 )B34 - 67
6X-RAY DIFFRACTION6chain 'B' and (resid 68 through 88 )B68 - 88
7X-RAY DIFFRACTION7chain 'B' and (resid 89 through 117 )B89 - 117
8X-RAY DIFFRACTION8chain 'B' and (resid 118 through 145 )B118 - 145
9X-RAY DIFFRACTION9chain 'B' and (resid 146 through 176 )B146 - 176
10X-RAY DIFFRACTION10chain 'B' and (resid 177 through 201 )B177 - 201
11X-RAY DIFFRACTION11chain 'B' and (resid 202 through 238 )B202 - 238
12X-RAY DIFFRACTION12chain 'B' and (resid 239 through 264 )B239 - 264
13X-RAY DIFFRACTION13chain 'B' and (resid 265 through 280 )B265 - 280
14X-RAY DIFFRACTION14chain 'C' and (resid -6 through 22 )C-6 - 22
15X-RAY DIFFRACTION15chain 'C' and (resid 23 through 39 )C23 - 39
16X-RAY DIFFRACTION16chain 'C' and (resid 40 through 115 )C40 - 115
17X-RAY DIFFRACTION17chain 'C' and (resid 116 through 175 )C116 - 175
18X-RAY DIFFRACTION18chain 'C' and (resid 176 through 212 )C176 - 212
19X-RAY DIFFRACTION19chain 'C' and (resid 213 through 234 )C213 - 234
20X-RAY DIFFRACTION20chain 'C' and (resid 235 through 256 )C235 - 256
21X-RAY DIFFRACTION21chain 'C' and (resid 257 through 348 )C257 - 348
22X-RAY DIFFRACTION22chain 'D' and (resid 1 through 17 )D1 - 17
23X-RAY DIFFRACTION23chain 'D' and (resid 18 through 33 )D18 - 33
24X-RAY DIFFRACTION24chain 'D' and (resid 34 through 67 )D34 - 67
25X-RAY DIFFRACTION25chain 'D' and (resid 68 through 88 )D68 - 88
26X-RAY DIFFRACTION26chain 'D' and (resid 89 through 145 )D89 - 145
27X-RAY DIFFRACTION27chain 'D' and (resid 146 through 176 )D146 - 176
28X-RAY DIFFRACTION28chain 'D' and (resid 177 through 201 )D177 - 201
29X-RAY DIFFRACTION29chain 'D' and (resid 202 through 217 )D202 - 217
30X-RAY DIFFRACTION30chain 'D' and (resid 218 through 238 )D218 - 238
31X-RAY DIFFRACTION31chain 'D' and (resid 239 through 279 )D239 - 279
32X-RAY DIFFRACTION32chain 'E' and (resid -5 through 25 )E-5 - 25
33X-RAY DIFFRACTION33chain 'E' and (resid 26 through 45 )E26 - 45
34X-RAY DIFFRACTION34chain 'E' and (resid 46 through 114 )E46 - 114
35X-RAY DIFFRACTION35chain 'E' and (resid 115 through 144 )E115 - 144
36X-RAY DIFFRACTION36chain 'E' and (resid 145 through 212 )E145 - 212
37X-RAY DIFFRACTION37chain 'E' and (resid 213 through 240 )E213 - 240
38X-RAY DIFFRACTION38chain 'E' and (resid 241 through 348 )E241 - 348
39X-RAY DIFFRACTION39chain 'F' and (resid 1 through 17 )F1 - 17
40X-RAY DIFFRACTION40chain 'F' and (resid 18 through 33 )F18 - 33
41X-RAY DIFFRACTION41chain 'F' and (resid 34 through 49 )F34 - 49
42X-RAY DIFFRACTION42chain 'F' and (resid 50 through 80 )F50 - 80
43X-RAY DIFFRACTION43chain 'F' and (resid 81 through 102 )F81 - 102
44X-RAY DIFFRACTION44chain 'F' and (resid 103 through 145 )F103 - 145
45X-RAY DIFFRACTION45chain 'F' and (resid 146 through 176 )F146 - 176
46X-RAY DIFFRACTION46chain 'F' and (resid 177 through 201 )F177 - 201
47X-RAY DIFFRACTION47chain 'F' and (resid 202 through 217 )F202 - 217
48X-RAY DIFFRACTION48chain 'F' and (resid 218 through 238 )F218 - 238
49X-RAY DIFFRACTION49chain 'F' and (resid 239 through 264 )F239 - 264
50X-RAY DIFFRACTION50chain 'F' and (resid 265 through 280 )F265 - 280
51X-RAY DIFFRACTION51chain 'G' and (resid -5 through 25 )G-5 - 25
52X-RAY DIFFRACTION52chain 'G' and (resid 26 through 69 )G26 - 69
53X-RAY DIFFRACTION53chain 'G' and (resid 70 through 239 )G70 - 239
54X-RAY DIFFRACTION54chain 'G' and (resid 240 through 348 )G240 - 348
55X-RAY DIFFRACTION55chain 'H' and (resid 1 through 33 )H1 - 33
56X-RAY DIFFRACTION56chain 'H' and (resid 34 through 80 )H34 - 80
57X-RAY DIFFRACTION57chain 'H' and (resid 81 through 117 )H81 - 117
58X-RAY DIFFRACTION58chain 'H' and (resid 118 through 145 )H118 - 145
59X-RAY DIFFRACTION59chain 'H' and (resid 146 through 201 )H146 - 201
60X-RAY DIFFRACTION60chain 'H' and (resid 202 through 217 )H202 - 217
61X-RAY DIFFRACTION61chain 'H' and (resid 218 through 238 )H218 - 238
62X-RAY DIFFRACTION62chain 'H' and (resid 239 through 264 )H239 - 264
63X-RAY DIFFRACTION63chain 'H' and (resid 265 through 280 )H265 - 280
64X-RAY DIFFRACTION64chain 'I' and (resid -6 through 25 )I-6 - 25
65X-RAY DIFFRACTION65chain 'I' and (resid 26 through 69 )I26 - 69
66X-RAY DIFFRACTION66chain 'I' and (resid 70 through 114 )I70 - 114
67X-RAY DIFFRACTION67chain 'I' and (resid 115 through 144 )I115 - 144
68X-RAY DIFFRACTION68chain 'I' and (resid 145 through 175 )I145 - 175
69X-RAY DIFFRACTION69chain 'I' and (resid 176 through 212 )I176 - 212
70X-RAY DIFFRACTION70chain 'I' and (resid 213 through 232 )I213 - 232
71X-RAY DIFFRACTION71chain 'I' and (resid 233 through 256 )I233 - 256
72X-RAY DIFFRACTION72chain 'I' and (resid 257 through 348 )I257 - 348
73X-RAY DIFFRACTION73chain 'J' and (resid 1 through 33 )J1 - 33
74X-RAY DIFFRACTION74chain 'J' and (resid 34 through 80 )J34 - 80
75X-RAY DIFFRACTION75chain 'J' and (resid 81 through 117 )J81 - 117
76X-RAY DIFFRACTION76chain 'J' and (resid 118 through 145 )J118 - 145
77X-RAY DIFFRACTION77chain 'J' and (resid 146 through 176 )J146 - 176
78X-RAY DIFFRACTION78chain 'J' and (resid 177 through 201 )J177 - 201
79X-RAY DIFFRACTION79chain 'J' and (resid 202 through 217 )J202 - 217
80X-RAY DIFFRACTION80chain 'J' and (resid 218 through 238 )J218 - 238
81X-RAY DIFFRACTION81chain 'J' and (resid 239 through 264 )J239 - 264
82X-RAY DIFFRACTION82chain 'J' and (resid 265 through 280 )J265 - 280
83X-RAY DIFFRACTION83chain 'K' and (resid -5 through 69 )K-5 - 69
84X-RAY DIFFRACTION84chain 'K' and (resid 70 through 212 )K70 - 212
85X-RAY DIFFRACTION85chain 'K' and (resid 213 through 239 )K213 - 239
86X-RAY DIFFRACTION86chain 'K' and (resid 240 through 348 )K240 - 348
87X-RAY DIFFRACTION87chain 'L' and (resid 1 through 17 )L1 - 17
88X-RAY DIFFRACTION88chain 'L' and (resid 18 through 33 )L18 - 33
89X-RAY DIFFRACTION89chain 'L' and (resid 34 through 49 )L34 - 49
90X-RAY DIFFRACTION90chain 'L' and (resid 50 through 67 )L50 - 67
91X-RAY DIFFRACTION91chain 'L' and (resid 68 through 88 )L68 - 88
92X-RAY DIFFRACTION92chain 'L' and (resid 89 through 117 )L89 - 117
93X-RAY DIFFRACTION93chain 'L' and (resid 118 through 145 )L118 - 145
94X-RAY DIFFRACTION94chain 'L' and (resid 146 through 176 )L146 - 176
95X-RAY DIFFRACTION95chain 'L' and (resid 177 through 201 )L177 - 201
96X-RAY DIFFRACTION96chain 'L' and (resid 202 through 217 )L202 - 217
97X-RAY DIFFRACTION97chain 'L' and (resid 218 through 238 )L218 - 238
98X-RAY DIFFRACTION98chain 'L' and (resid 239 through 264 )L239 - 264
99X-RAY DIFFRACTION99chain 'L' and (resid 265 through 280 )L265 - 280
100X-RAY DIFFRACTION100chain 'M' and (resid -6 through 25 )M-6 - 25
101X-RAY DIFFRACTION101chain 'M' and (resid 26 through 45 )M26 - 45
102X-RAY DIFFRACTION102chain 'M' and (resid 46 through 69 )M46 - 69
103X-RAY DIFFRACTION103chain 'M' and (resid 70 through 114 )M70 - 114
104X-RAY DIFFRACTION104chain 'M' and (resid 115 through 144 )M115 - 144
105X-RAY DIFFRACTION105chain 'M' and (resid 145 through 212 )M145 - 212
106X-RAY DIFFRACTION106chain 'M' and (resid 213 through 232 )M213 - 232
107X-RAY DIFFRACTION107chain 'M' and (resid 233 through 314 )M233 - 314
108X-RAY DIFFRACTION108chain 'M' and (resid 315 through 348 )M315 - 348
109X-RAY DIFFRACTION109chain 'N' and (resid 1 through 33 )N1 - 33
110X-RAY DIFFRACTION110chain 'N' and (resid 34 through 117 )N34 - 117
111X-RAY DIFFRACTION111chain 'N' and (resid 118 through 145 )N118 - 145
112X-RAY DIFFRACTION112chain 'N' and (resid 146 through 201 )N146 - 201
113X-RAY DIFFRACTION113chain 'N' and (resid 202 through 217 )N202 - 217
114X-RAY DIFFRACTION114chain 'N' and (resid 218 through 238 )N218 - 238
115X-RAY DIFFRACTION115chain 'N' and (resid 239 through 264 )N239 - 264
116X-RAY DIFFRACTION116chain 'N' and (resid 265 through 280 )N265 - 280
117X-RAY DIFFRACTION117chain 'O' and (resid -5 through 12 )O-5 - 12
118X-RAY DIFFRACTION118chain 'O' and (resid 13 through 48 )O13 - 48
119X-RAY DIFFRACTION119chain 'O' and (resid 49 through 88 )O49 - 88
120X-RAY DIFFRACTION120chain 'O' and (resid 89 through 114 )O89 - 114
121X-RAY DIFFRACTION121chain 'O' and (resid 115 through 144 )O115 - 144
122X-RAY DIFFRACTION122chain 'O' and (resid 145 through 212 )O145 - 212
123X-RAY DIFFRACTION123chain 'O' and (resid 213 through 348 )O213 - 348
124X-RAY DIFFRACTION124chain 'P' and (resid 1 through 145 )P1 - 145
125X-RAY DIFFRACTION125chain 'P' and (resid 146 through 201 )P146 - 201
126X-RAY DIFFRACTION126chain 'P' and (resid 202 through 279 )P202 - 279

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万見について

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お知らせ

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2022年2月9日: EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

  • EMDBのヘッダファイルのバージョン3が、公式のフォーマットとなりました。
  • これまでは公式だったバージョン1.9は、アーカイブから削除されます。

関連情報:EMDBヘッダ

外部リンク:wwPDBはEMDBデータモデルのバージョン3へ移行します

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2020年8月12日: 新型コロナ情報

新型コロナ情報

URL: https://pdbj.org/emnavi/covid19.php

新ページ: EM Navigatorに新型コロナウイルスの特設ページを開設しました。

関連情報:Covid-19情報 / 2020年3月5日: 新型コロナウイルスの構造データ

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2020年3月5日: 新型コロナウイルスの構造データ

新型コロナウイルスの構造データ

関連情報:万見生物種 / 2020年8月12日: 新型コロナ情報

外部リンク:COVID-19特集ページ - PDBj / 今月の分子2020年2月：コロナウイルスプロテーアーゼ

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2019年1月31日: EMDBのIDの桁数の変更

EMDBのIDの桁数の変更

  • EMDBエントリに付与されているアクセスコード(EMDB-ID)は4桁の数字(例、EMD-1234)でしたが、間もなく枯渇します。これまでの4桁のID番号は4桁のまま変更されませんが、4桁の数字を使い切った後に発行されるIDは5桁以上の数字(例、EMD-12345)になります。5桁のIDは2019年の春頃から発行される見通しです。
  • EM Navigator/万見では、接頭語「EMD-」は省略されています。

関連情報:Q: 「EMD」とは何ですか？ / 万見/EM NavigatorにおけるID/アクセスコードの表記

外部リンク:EMDB Accession Codes are Changing Soon! / PDBjへお問い合わせ

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2017年7月12日: PDB大規模アップデート

PDB大規模アップデート

  • 新バージョンのPDBx/mmCIF辞書形式に基づくデータがリリースされました。
  • 今回の更新はバージョン番号が4から5になる大規模なもので、全エントリデータの書き換えが行われる「Remediation」というアップデートに該当します。
  • このバージョンアップで、電子顕微鏡の実験手法に関する多くの項目の書式が改定されました(例：em_softwareなど)。
  • EM NavigatorとYorodumiでも、この改定に基づいた表示内容になります。

外部リンク:wwPDB Remediation / OneDepデータ基準に準拠した、より強化された内容のモデル構造ファイルが、PDBアーカイブで公開されました。

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万見 (Yorodumi)

幾万の構造データを、幾万の視点から

  • 万見(Yorodumi)は、EMDB/PDB/SASBDBなどの構造データを閲覧するためのページです。
  • EM Navigatorの詳細ページの後継、Omokage検索のフロントエンドも兼ねています。

関連情報:EMDB / PDB / SASBDB / 3つのデータバンクの比較 / 万見検索 / 2016年8月31日: 新しいEM Navigatorと万見 / 万見文献 / Jmol/JSmol / 機能・相同性情報 / 新しいEM Navigatorと万見の変更点

他の情報も見る