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- PDB-8h5a: Crystal structure of YhaJ effector binding domain (ligand-bound) -

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基本情報

登録情報
データベース: PDB / ID: 8h5a
タイトルCrystal structure of YhaJ effector binding domain (ligand-bound)
要素HTH-type transcriptional regulator YhaJ
キーワードTRANSCRIPTION
機能・相同性
機能・相同性情報


DNA-binding transcription factor activity / DNA binding
類似検索 - 分子機能
LysR, substrate-binding / LysR substrate binding domain / LysR-type HTH domain profile. / Transcription regulator HTH, LysR / Bacterial regulatory helix-turn-helix protein, lysR family / Winged helix DNA-binding domain superfamily / Winged helix-like DNA-binding domain superfamily
類似検索 - ドメイン・相同性
2-methylbenzene-1,4-diol / HTH-type transcriptional regulator YhaJ
類似検索 - 構成要素
生物種Escherichia coli K-12 (大腸菌)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 2.803 Å
データ登録者Kim, M. / Ryu, S.E.
資金援助 韓国, 1件
組織認可番号
National Research Foundation (NRF, Korea) 韓国
引用ジャーナル: Iscience / : 2023
タイトル: Structural basis of transcription factor YhaJ for DNT detection.
著者: Kim, M. / Kang, R. / Jeon, T.J. / Ryu, S.E.
履歴
登録2022年10月12日登録サイト: PDBJ / 処理サイト: PDBJ
改定 1.02023年10月25日Provider: repository / タイプ: Initial release
改定 1.12024年3月6日Group: Source and taxonomy / カテゴリ: entity_src_gen
Item: _entity_src_gen.gene_src_strain / _entity_src_gen.pdbx_gene_src_scientific_name ..._entity_src_gen.gene_src_strain / _entity_src_gen.pdbx_gene_src_scientific_name / _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id / _entity_src_gen.pdbx_host_org_scientific_name / _entity_src_gen.pdbx_host_org_strain

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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: HTH-type transcriptional regulator YhaJ
B: HTH-type transcriptional regulator YhaJ
C: HTH-type transcriptional regulator YhaJ
D: HTH-type transcriptional regulator YhaJ
E: HTH-type transcriptional regulator YhaJ
F: HTH-type transcriptional regulator YhaJ
G: HTH-type transcriptional regulator YhaJ
H: HTH-type transcriptional regulator YhaJ
I: HTH-type transcriptional regulator YhaJ
J: HTH-type transcriptional regulator YhaJ
K: HTH-type transcriptional regulator YhaJ
L: HTH-type transcriptional regulator YhaJ
M: HTH-type transcriptional regulator YhaJ
N: HTH-type transcriptional regulator YhaJ
O: HTH-type transcriptional regulator YhaJ
P: HTH-type transcriptional regulator YhaJ
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)376,55482
ポリマ-369,98016
非ポリマー6,57566
1,27971
1
A: HTH-type transcriptional regulator YhaJ
B: HTH-type transcriptional regulator YhaJ
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)47,03810
ポリマ-46,2472
非ポリマー7918
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area2730 Å2
ΔGint-35 kcal/mol
Surface area19150 Å2
手法PISA
2
C: HTH-type transcriptional regulator YhaJ
D: HTH-type transcriptional regulator YhaJ
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)47,16211
ポリマ-46,2472
非ポリマー9159
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area2960 Å2
ΔGint-34 kcal/mol
Surface area19150 Å2
手法PISA
3
E: HTH-type transcriptional regulator YhaJ
F: HTH-type transcriptional regulator YhaJ
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)47,03810
ポリマ-46,2472
非ポリマー7918
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area2980 Å2
ΔGint-34 kcal/mol
Surface area18750 Å2
手法PISA
4
G: HTH-type transcriptional regulator YhaJ
H: HTH-type transcriptional regulator YhaJ
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)47,03810
ポリマ-46,2472
非ポリマー7918
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area2960 Å2
ΔGint-34 kcal/mol
Surface area18660 Å2
手法PISA
5
I: HTH-type transcriptional regulator YhaJ
J: HTH-type transcriptional regulator YhaJ
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)47,03810
ポリマ-46,2472
非ポリマー7918
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area2760 Å2
ΔGint-34 kcal/mol
Surface area19490 Å2
手法PISA
6
K: HTH-type transcriptional regulator YhaJ
L: HTH-type transcriptional regulator YhaJ
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)47,16211
ポリマ-46,2472
非ポリマー9159
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area2980 Å2
ΔGint-35 kcal/mol
Surface area19090 Å2
手法PISA
7
M: HTH-type transcriptional regulator YhaJ
N: HTH-type transcriptional regulator YhaJ
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)47,03810
ポリマ-46,2472
非ポリマー7918
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area2690 Å2
ΔGint-38 kcal/mol
Surface area19410 Å2
手法PISA
8
O: HTH-type transcriptional regulator YhaJ
P: HTH-type transcriptional regulator YhaJ
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)47,03810
ポリマ-46,2472
非ポリマー7918
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area2850 Å2
ΔGint-37 kcal/mol
Surface area19130 Å2
手法PISA
単位格子
Length a, b, c (Å)215.745, 215.745, 264.158
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number146
Space group name H-MH3
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID詳細
11A
21B
32A
42C
53A
63D
74A
84E
95A
105F
116A
126G
137A
147H
158A
168I
179A
189J
1910A
2010K
2111A
2211L
2312A
2412M
2513A
2613N
2714A
2814O
2915A
3015P
3116B
3216C
3317B
3417D
3518B
3618E
3719B
3819F
3920B
4020G
4121B
4221H
4322B
4422I
4523B
4623J
4724B
4824K
4925B
5025L
5126B
5226M
5327B
5427N
5528B
5628O
5729B
5829P
5930C
6030D
6131C
6231E
6332C
6432F
6533C
6633G
6734C
6834H
6935C
7035I
7136C
7236J
7337C
7437K
7538C
7638L
7739C
7839M
7940C
8040N
8141C
8241O
8342C
8442P
8543D
8643E
8744D
8844F
8945D
9045G
9146D
9246H
9347D
9447I
9548D
9648J
9749D
9849K
9950D
10050L
10151D
10251M
10352D
10452N
10553D
10653O
10754D
10854P
10955E
11055F
11156E
11256G
11357E
11457H
11558E
11658I
11759E
11859J
11960E
12060K
12161E
12261L
12362E
12462M
12563E
12663N
12764E
12864O
12965E
13065P
13166F
13266G
13367F
13467H
13568F
13668I
13769F
13869J
13970F
14070K
14171F
14271L
14372F
14472M
14573F
14673N
14774F
14874O
14975F
15075P
15176G
15276H
15377G
15477I
15578G
15678J
15779G
15879K
15980G
16080L
16181G
16281M
16382G
16482N
16583G
16683O
16784G
16884P
16985H
17085I
17186H
17286J
17387H
17487K
17588H
17688L
17789H
17889M
17990H
18090N
18191H
18291O
18392H
18492P
18593I
18693J
18794I
18894K
18995I
19095L
19196I
19296M
19397I
19497N
19598I
19698O
19799I
19899P
199100J
200100K
201101J
202101L
203102J
204102M
205103J
206103N
207104J
208104O
209105J
210105P
211106K
212106L
213107K
214107M
215108K
216108N
217109K
218109O
219110K
220110P
221111L
222111M
223112L
224112N
225113L
226113O
227114L
228114P
229115M
230115N
231116M
232116O
233117M
234117P
235118N
236118O
237119N
238119P
239120O
240120P

NCSドメイン領域:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111THRTHRPHEPHEAA97 - 2956 - 204
221THRTHRPHEPHEBB97 - 2956 - 204
332THRTHRLYSLYSAA97 - 2986 - 207
442THRTHRLYSLYSCC97 - 2986 - 207
553THRTHRASNASNAA97 - 2966 - 205
663THRTHRASNASNDD97 - 2966 - 205
774THRTHRLYSLYSAA97 - 2986 - 207
884THRTHRLYSLYSEE97 - 2986 - 207
995THRTHRGLYGLYAA97 - 2976 - 206
10105THRTHRGLYGLYFF97 - 2976 - 206
11116THRTHRLYSLYSAA97 - 2986 - 207
12126THRTHRLYSLYSGG97 - 2986 - 207
13137THRTHRASNASNAA97 - 2966 - 205
14147THRTHRASNASNHH97 - 2966 - 205
15158THRTHRLYSLYSAA97 - 2986 - 207
16168THRTHRLYSLYSII97 - 2986 - 207
17179THRTHRGLYGLYAA97 - 2976 - 206
18189THRTHRGLYGLYJJ97 - 2976 - 206
191910THRTHRLYSLYSAA97 - 2986 - 207
202010THRTHRLYSLYSKK97 - 2986 - 207
212111THRTHRASNASNAA97 - 2966 - 205
222211THRTHRASNASNLL97 - 2966 - 205
232312THRTHRLYSLYSAA97 - 2986 - 207
242412THRTHRLYSLYSMM97 - 2986 - 207
252513THRTHRASNASNAA97 - 2966 - 205
262613THRTHRASNASNNN97 - 2966 - 205
272714THRTHRLYSLYSAA97 - 2986 - 207
282814THRTHRLYSLYSOO97 - 2986 - 207
292915THRTHRASNASNAA97 - 2966 - 205
303015THRTHRASNASNPP97 - 2966 - 205
313116THRTHRPHEPHEBB97 - 2956 - 204
323216THRTHRPHEPHECC97 - 2956 - 204
333317METMETPHEPHEBB95 - 2954 - 204
343417METMETPHEPHEDD95 - 2954 - 204
353518THRTHRPHEPHEBB97 - 2956 - 204
363618THRTHRPHEPHEEE97 - 2956 - 204
373719METMETPHEPHEBB95 - 2954 - 204
383819METMETPHEPHEFF95 - 2954 - 204
393920THRTHRPHEPHEBB97 - 2956 - 204
404020THRTHRPHEPHEGG97 - 2956 - 204
414121METMETPHEPHEBB95 - 2954 - 204
424221METMETPHEPHEHH95 - 2954 - 204
434322THRTHRPHEPHEBB97 - 2956 - 204
444422THRTHRPHEPHEII97 - 2956 - 204
454523METMETASNASNBB95 - 2964 - 205
464623METMETASNASNJJ95 - 2964 - 205
474724THRTHRPHEPHEBB97 - 2956 - 204
484824THRTHRPHEPHEKK97 - 2956 - 204
494925METMETASNASNBB95 - 2964 - 205
505025METMETASNASNLL95 - 2964 - 205
515126THRTHRPHEPHEBB97 - 2956 - 204
525226THRTHRPHEPHEMM97 - 2956 - 204
535327METMETPHEPHEBB95 - 2954 - 204
545427METMETPHEPHENN95 - 2954 - 204
555528THRTHRPHEPHEBB97 - 2956 - 204
565628THRTHRPHEPHEOO97 - 2956 - 204
575729METMETPHEPHEBB95 - 2954 - 204
585829METMETPHEPHEPP95 - 2954 - 204
595930THRTHRASNASNCC97 - 2966 - 205
606030THRTHRASNASNDD97 - 2966 - 205
616131THRTHRLYSLYSCC97 - 2986 - 207
626231THRTHRLYSLYSEE97 - 2986 - 207
636332THRTHRGLYGLYCC97 - 2976 - 206
646432THRTHRGLYGLYFF97 - 2976 - 206
656533THRTHRLYSLYSCC97 - 2986 - 207
666633THRTHRLYSLYSGG97 - 2986 - 207
676734THRTHRASNASNCC97 - 2966 - 205
686834THRTHRASNASNHH97 - 2966 - 205
696935THRTHRLYSLYSCC97 - 2986 - 207
707035THRTHRLYSLYSII97 - 2986 - 207
717136THRTHRGLYGLYCC97 - 2976 - 206
727236THRTHRGLYGLYJJ97 - 2976 - 206
737337THRTHRLYSLYSCC97 - 2986 - 207
747437THRTHRLYSLYSKK97 - 2986 - 207
757538THRTHRASNASNCC97 - 2966 - 205
767638THRTHRASNASNLL97 - 2966 - 205
777739THRTHRLYSLYSCC97 - 2986 - 207
787839THRTHRLYSLYSMM97 - 2986 - 207
797940THRTHRASNASNCC97 - 2966 - 205
808040THRTHRASNASNNN97 - 2966 - 205
818141THRTHRLYSLYSCC97 - 2986 - 207
828241THRTHRLYSLYSOO97 - 2986 - 207
838342THRTHRASNASNCC97 - 2966 - 205
848442THRTHRASNASNPP97 - 2966 - 205
858543THRTHRASNASNDD97 - 2966 - 205
868643THRTHRASNASNEE97 - 2966 - 205
878744METMETASNASNDD95 - 2964 - 205
888844METMETASNASNFF95 - 2964 - 205
898945THRTHRASNASNDD97 - 2966 - 205
909045THRTHRASNASNGG97 - 2966 - 205
919146METMETGLYGLYDD95 - 2974 - 206
929246METMETGLYGLYHH95 - 2974 - 206
939347THRTHRASNASNDD97 - 2966 - 205
949447THRTHRASNASNII97 - 2966 - 205
959548METMETGLYGLYDD95 - 2974 - 206
969648METMETGLYGLYJJ95 - 2974 - 206
979749THRTHRASNASNDD97 - 2966 - 205
989849THRTHRASNASNKK97 - 2966 - 205
999950METMETGLYGLYDD95 - 2974 - 206
10010050METMETGLYGLYLL95 - 2974 - 206
10110151THRTHRASNASNDD97 - 2966 - 205
10210251THRTHRASNASNMM97 - 2966 - 205
10310352METMETGLYGLYDD95 - 2974 - 206
10410452METMETGLYGLYNN95 - 2974 - 206
10510553THRTHRASNASNDD97 - 2966 - 205
10610653THRTHRASNASNOO97 - 2966 - 205
10710754METMETGLYGLYDD95 - 2974 - 206
10810854METMETGLYGLYPP95 - 2974 - 206
10910955THRTHRGLYGLYEE97 - 2976 - 206
11011055THRTHRGLYGLYFF97 - 2976 - 206
11111156THRTHRLYSLYSEE97 - 2986 - 207
11211256THRTHRLYSLYSGG97 - 2986 - 207
11311357THRTHRASNASNEE97 - 2966 - 205
11411457THRTHRASNASNHH97 - 2966 - 205
11511558THRTHRLYSLYSEE97 - 2986 - 207
11611658THRTHRLYSLYSII97 - 2986 - 207
11711759THRTHRGLYGLYEE97 - 2976 - 206
11811859THRTHRGLYGLYJJ97 - 2976 - 206
11911960THRTHRLYSLYSEE97 - 2986 - 207
12012060THRTHRLYSLYSKK97 - 2986 - 207
12112161THRTHRASNASNEE97 - 2966 - 205
12212261THRTHRASNASNLL97 - 2966 - 205
12312362THRTHRLYSLYSEE97 - 2986 - 207
12412462THRTHRLYSLYSMM97 - 2986 - 207
12512563THRTHRASNASNEE97 - 2966 - 205
12612663THRTHRASNASNNN97 - 2966 - 205
12712764THRTHRLYSLYSEE97 - 2986 - 207
12812864THRTHRLYSLYSOO97 - 2986 - 207
12912965THRTHRASNASNEE97 - 2966 - 205
13013065THRTHRASNASNPP97 - 2966 - 205
13113166THRTHRGLYGLYFF97 - 2976 - 206
13213266THRTHRGLYGLYGG97 - 2976 - 206
13313367METMETASNASNFF95 - 2964 - 205
13413467METMETASNASNHH95 - 2964 - 205
13513568THRTHRGLYGLYFF97 - 2976 - 206
13613668THRTHRGLYGLYII97 - 2976 - 206
13713769METMETGLYGLYFF95 - 2974 - 206
13813869METMETGLYGLYJJ95 - 2974 - 206
13913970THRTHRGLYGLYFF97 - 2976 - 206
14014070THRTHRGLYGLYKK97 - 2976 - 206
14114171METMETGLYGLYFF95 - 2974 - 206
14214271METMETGLYGLYLL95 - 2974 - 206
14314372THRTHRGLYGLYFF97 - 2976 - 206
14414472THRTHRGLYGLYMM97 - 2976 - 206
14514573METMETASNASNFF95 - 2964 - 205
14614673METMETASNASNNN95 - 2964 - 205
14714774THRTHRGLYGLYFF97 - 2976 - 206
14814874THRTHRGLYGLYOO97 - 2976 - 206
14914975METMETASNASNFF95 - 2964 - 205
15015075METMETASNASNPP95 - 2964 - 205
15115176THRTHRASNASNGG97 - 2966 - 205
15215276THRTHRASNASNHH97 - 2966 - 205
15315377THRTHRLYSLYSGG97 - 2986 - 207
15415477THRTHRLYSLYSII97 - 2986 - 207
15515578THRTHRGLYGLYGG97 - 2976 - 206
15615678THRTHRGLYGLYJJ97 - 2976 - 206
15715779THRTHRLYSLYSGG97 - 2986 - 207
15815879THRTHRLYSLYSKK97 - 2986 - 207
15915980THRTHRASNASNGG97 - 2966 - 205
16016080THRTHRASNASNLL97 - 2966 - 205
16116181THRTHRLYSLYSGG97 - 2986 - 207
16216281THRTHRLYSLYSMM97 - 2986 - 207
16316382THRTHRASNASNGG97 - 2966 - 205
16416482THRTHRASNASNNN97 - 2966 - 205
16516583THRTHRLYSLYSGG97 - 2986 - 207
16616683THRTHRLYSLYSOO97 - 2986 - 207
16716784THRTHRASNASNGG97 - 2966 - 205
16816884THRTHRASNASNPP97 - 2966 - 205
16916985THRTHRASNASNHH97 - 2966 - 205
17017085THRTHRASNASNII97 - 2966 - 205
17117186METMETGLYGLYHH95 - 2974 - 206
17217286METMETGLYGLYJJ95 - 2974 - 206
17317387THRTHRASNASNHH97 - 2966 - 205
17417487THRTHRASNASNKK97 - 2966 - 205
17517588METMETGLYGLYHH95 - 2974 - 206
17617688METMETGLYGLYLL95 - 2974 - 206
17717789THRTHRASNASNHH97 - 2966 - 205
17817889THRTHRASNASNMM97 - 2966 - 205
17917990METMETGLYGLYHH95 - 2974 - 206
18018090METMETGLYGLYNN95 - 2974 - 206
18118191THRTHRASNASNHH97 - 2966 - 205
18218291THRTHRASNASNOO97 - 2966 - 205
18318392METMETGLYGLYHH95 - 2974 - 206
18418492METMETGLYGLYPP95 - 2974 - 206
18518593THRTHRGLYGLYII97 - 2976 - 206
18618693THRTHRGLYGLYJJ97 - 2976 - 206
18718794THRTHRLYSLYSII97 - 2986 - 207
18818894THRTHRLYSLYSKK97 - 2986 - 207
18918995THRTHRASNASNII97 - 2966 - 205
19019095THRTHRASNASNLL97 - 2966 - 205
19119196THRTHRLYSLYSII97 - 2986 - 207
19219296THRTHRLYSLYSMM97 - 2986 - 207
19319397THRTHRASNASNII97 - 2966 - 205
19419497THRTHRASNASNNN97 - 2966 - 205
19519598THRTHRLYSLYSII97 - 2986 - 207
19619698THRTHRLYSLYSOO97 - 2986 - 207
19719799THRTHRASNASNII97 - 2966 - 205
19819899THRTHRASNASNPP97 - 2966 - 205
199199100THRTHRGLYGLYJJ97 - 2976 - 206
200200100THRTHRGLYGLYKK97 - 2976 - 206
201201101METMETGLYGLYJJ95 - 2974 - 206
202202101METMETGLYGLYLL95 - 2974 - 206
203203102THRTHRGLYGLYJJ97 - 2976 - 206
204204102THRTHRGLYGLYMM97 - 2976 - 206
205205103METMETGLYGLYJJ95 - 2974 - 206
206206103METMETGLYGLYNN95 - 2974 - 206
207207104THRTHRGLYGLYJJ97 - 2976 - 206
208208104THRTHRGLYGLYOO97 - 2976 - 206
209209105METMETGLYGLYJJ95 - 2974 - 206
210210105METMETGLYGLYPP95 - 2974 - 206
211211106THRTHRASNASNKK97 - 2966 - 205
212212106THRTHRASNASNLL97 - 2966 - 205
213213107THRTHRLYSLYSKK97 - 2986 - 207
214214107THRTHRLYSLYSMM97 - 2986 - 207
215215108THRTHRASNASNKK97 - 2966 - 205
216216108THRTHRASNASNNN97 - 2966 - 205
217217109THRTHRLYSLYSKK97 - 2986 - 207
218218109THRTHRLYSLYSOO97 - 2986 - 207
219219110THRTHRASNASNKK97 - 2966 - 205
220220110THRTHRASNASNPP97 - 2966 - 205
221221111THRTHRASNASNLL97 - 2966 - 205
222222111THRTHRASNASNMM97 - 2966 - 205
223223112METMETGLYGLYLL95 - 2974 - 206
224224112METMETGLYGLYNN95 - 2974 - 206
225225113THRTHRASNASNLL97 - 2966 - 205
226226113THRTHRASNASNOO97 - 2966 - 205
227227114METMETGLYGLYLL95 - 2974 - 206
228228114METMETGLYGLYPP95 - 2974 - 206
229229115THRTHRASNASNMM97 - 2966 - 205
230230115THRTHRASNASNNN97 - 2966 - 205
231231116THRTHRLYSLYSMM97 - 2986 - 207
232232116THRTHRLYSLYSOO97 - 2986 - 207
233233117THRTHRASNASNMM97 - 2966 - 205
234234117THRTHRASNASNPP97 - 2966 - 205
235235118THRTHRASNASNNN97 - 2966 - 205
236236118THRTHRASNASNOO97 - 2966 - 205
237237119METMETGLYGLYNN95 - 2974 - 206
238238119METMETGLYGLYPP95 - 2974 - 206
239239120THRTHRASNASNOO97 - 2966 - 205
240240120THRTHRASNASNPP97 - 2966 - 205

NCSアンサンブル:
ID詳細
1Local NCS retraints between domains: 1 2
2Local NCS retraints between domains: 3 4
3Local NCS retraints between domains: 5 6
4Local NCS retraints between domains: 7 8
5Local NCS retraints between domains: 9 10
6Local NCS retraints between domains: 11 12
7Local NCS retraints between domains: 13 14
8Local NCS retraints between domains: 15 16
9Local NCS retraints between domains: 17 18
10Local NCS retraints between domains: 19 20
11Local NCS retraints between domains: 21 22
12Local NCS retraints between domains: 23 24
13Local NCS retraints between domains: 25 26
14Local NCS retraints between domains: 27 28
15Local NCS retraints between domains: 29 30
16Local NCS retraints between domains: 31 32
17Local NCS retraints between domains: 33 34
18Local NCS retraints between domains: 35 36
19Local NCS retraints between domains: 37 38
20Local NCS retraints between domains: 39 40
21Local NCS retraints between domains: 41 42
22Local NCS retraints between domains: 43 44
23Local NCS retraints between domains: 45 46
24Local NCS retraints between domains: 47 48
25Local NCS retraints between domains: 49 50
26Local NCS retraints between domains: 51 52
27Local NCS retraints between domains: 53 54
28Local NCS retraints between domains: 55 56
29Local NCS retraints between domains: 57 58
30Local NCS retraints between domains: 59 60
31Local NCS retraints between domains: 61 62
32Local NCS retraints between domains: 63 64
33Local NCS retraints between domains: 65 66
34Local NCS retraints between domains: 67 68
35Local NCS retraints between domains: 69 70
36Local NCS retraints between domains: 71 72
37Local NCS retraints between domains: 73 74
38Local NCS retraints between domains: 75 76
39Local NCS retraints between domains: 77 78
40Local NCS retraints between domains: 79 80
41Local NCS retraints between domains: 81 82
42Local NCS retraints between domains: 83 84
43Local NCS retraints between domains: 85 86
44Local NCS retraints between domains: 87 88
45Local NCS retraints between domains: 89 90
46Local NCS retraints between domains: 91 92
47Local NCS retraints between domains: 93 94
48Local NCS retraints between domains: 95 96
49Local NCS retraints between domains: 97 98
50Local NCS retraints between domains: 99 100
51Local NCS retraints between domains: 101 102
52Local NCS retraints between domains: 103 104
53Local NCS retraints between domains: 105 106
54Local NCS retraints between domains: 107 108
55Local NCS retraints between domains: 109 110
56Local NCS retraints between domains: 111 112
57Local NCS retraints between domains: 113 114
58Local NCS retraints between domains: 115 116
59Local NCS retraints between domains: 117 118
60Local NCS retraints between domains: 119 120
61Local NCS retraints between domains: 121 122
62Local NCS retraints between domains: 123 124
63Local NCS retraints between domains: 125 126
64Local NCS retraints between domains: 127 128
65Local NCS retraints between domains: 129 130
66Local NCS retraints between domains: 131 132
67Local NCS retraints between domains: 133 134
68Local NCS retraints between domains: 135 136
69Local NCS retraints between domains: 137 138
70Local NCS retraints between domains: 139 140
71Local NCS retraints between domains: 141 142
72Local NCS retraints between domains: 143 144
73Local NCS retraints between domains: 145 146
74Local NCS retraints between domains: 147 148
75Local NCS retraints between domains: 149 150
76Local NCS retraints between domains: 151 152
77Local NCS retraints between domains: 153 154
78Local NCS retraints between domains: 155 156
79Local NCS retraints between domains: 157 158
80Local NCS retraints between domains: 159 160
81Local NCS retraints between domains: 161 162
82Local NCS retraints between domains: 163 164
83Local NCS retraints between domains: 165 166
84Local NCS retraints between domains: 167 168
85Local NCS retraints between domains: 169 170
86Local NCS retraints between domains: 171 172
87Local NCS retraints between domains: 173 174
88Local NCS retraints between domains: 175 176
89Local NCS retraints between domains: 177 178
90Local NCS retraints between domains: 179 180
91Local NCS retraints between domains: 181 182
92Local NCS retraints between domains: 183 184
93Local NCS retraints between domains: 185 186
94Local NCS retraints between domains: 187 188
95Local NCS retraints between domains: 189 190
96Local NCS retraints between domains: 191 192
97Local NCS retraints between domains: 193 194
98Local NCS retraints between domains: 195 196
99Local NCS retraints between domains: 197 198
100Local NCS retraints between domains: 199 200
101Local NCS retraints between domains: 201 202
102Local NCS retraints between domains: 203 204
103Local NCS retraints between domains: 205 206
104Local NCS retraints between domains: 207 208
105Local NCS retraints between domains: 209 210
106Local NCS retraints between domains: 211 212
107Local NCS retraints between domains: 213 214
108Local NCS retraints between domains: 215 216
109Local NCS retraints between domains: 217 218
110Local NCS retraints between domains: 219 220
111Local NCS retraints between domains: 221 222
112Local NCS retraints between domains: 223 224
113Local NCS retraints between domains: 225 226
114Local NCS retraints between domains: 227 228
115Local NCS retraints between domains: 229 230
116Local NCS retraints between domains: 231 232
117Local NCS retraints between domains: 233 234
118Local NCS retraints between domains: 235 236
119Local NCS retraints between domains: 237 238
120Local NCS retraints between domains: 239 240

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要素

#1: タンパク質
HTH-type transcriptional regulator YhaJ


分子量: 23123.719 Da / 分子数: 16 / 由来タイプ: 組換発現 / 由来: (組換発現) Escherichia coli K-12 (大腸菌) / : K-12 / 遺伝子: yhaJ / 発現宿主: Escherichia coli DH5[alpha] (大腸菌) / 株 (発現宿主): DH5[alpha] / 参照: UniProt: P67661
#2: 化合物...
ChemComp-7DV / 2-methylbenzene-1,4-diol / 2-メチルヒドロキノン


分子量: 124.137 Da / 分子数: 50 / 由来タイプ: 合成 / : C7H8O2 / タイプ: SUBJECT OF INVESTIGATION
#3: 化合物
ChemComp-NA / SODIUM ION / ナトリウムカチオン


分子量: 22.990 Da / 分子数: 16 / 由来タイプ: 合成 / : Na
#4: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 71 / 由来タイプ: 天然 / : H2O
研究の焦点であるリガンドがあるかY

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実験情報

-
実験

実験手法: X線回折 / 使用した結晶の数: 1

-
試料調製

結晶マシュー密度: 3.18 Å3/Da / 溶媒含有率: 61 %
結晶化温度: 291 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 7 / 詳細: 2.8M sodium acetate trihydrate pH 7.0

-
データ収集

回折平均測定温度: 100 K / Serial crystal experiment: N
放射光源由来: シンクロトロン / サイト: PAL/PLS / ビームライン: 7A (6B, 6C1) / 波長: 0.97933 Å
検出器タイプ: ADSC QUANTUM 210 / 検出器: CCD / 日付: 2022年3月24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: 0.97933 Å / 相対比: 1
Reflection twin
タイプCrystal-IDIDOperatorDomain-IDFraction
pseudo-merohedral11H, K, L10.1222
pseudo-merohedral22K, H, -L20.1254
pseudo-merohedral33-K, -1/3H+1/3K-2/3L, 4/3H+2/3K-1/3L30.1278
pseudo-merohedral44-1/3H-2/3K-2/3L, -2/3H-1/3K+2/3L, -2/3H+2/3K-1/3L40.12
pseudo-merohedral55-1/3H+1/3K-2/3L, -K, -4/3H-2/3K+1/3L50.1275
pseudo-merohedral66-H, 1/3H-1/3K+2/3L, 2/3H+4/3K+1/3L60.1303
pseudo-merohedral771/3H-1/3K+2/3L, -H, -2/3H-4/3K-1/3L70.1249
pseudo-merohedral88-2/3H-1/3K+2/3L, -1/3H-2/3K-2/3L, 2/3H-2/3K+1/3L80.1219
反射解像度: 2.8→35.01 Å / Num. obs: 107524 / % possible obs: 95.5 % / 冗長度: 3.6 % / CC1/2: 0.996 / Rmerge(I) obs: 0.082 / Net I/σ(I): 10.1
反射 シェル解像度: 2.8→2.9 Å / 冗長度: 2.4 % / Rmerge(I) obs: 0.391 / Mean I/σ(I) obs: 2.2 / Num. unique obs: 10131 / CC1/2: 0.178 / % possible all: 89.9

-
解析

ソフトウェア
名称バージョン分類
REFMAC5.8.0267精密化
HKL-2000v715データ削減
HKL-2000v715データスケーリング
PHASER2.8.3位相決定
精密化構造決定の手法: 分子置換
開始モデル: AF_AFP67660F1

解像度: 2.803→34.998 Å / Cor.coef. Fo:Fc: 0.939 / Cor.coef. Fo:Fc free: 0.904 / SU B: 7.504 / SU ML: 0.16 / 交差検証法: FREE R-VALUE / ESU R Free: 0.072 / 詳細: Hydrogens have not been used
Rfactor反射数%反射
Rfree0.232 5740 5.338 %
Rwork0.1838 101783 -
all0.186 --
obs-107523 95.489 %
溶媒の処理イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK BULK SOLVENT
原子変位パラメータBiso mean: 66.276 Å2
Baniso -1Baniso -2Baniso -3
1--45.61 Å2-0 Å2-0 Å2
2---45.61 Å2-0 Å2
3---91.219 Å2
精密化ステップサイクル: LAST / 解像度: 2.803→34.998 Å
タンパク質核酸リガンド溶媒全体
原子数25300 0 466 71 25837
拘束条件
Refine-IDタイプDev idealDev ideal target
X-RAY DIFFRACTIONr_bond_refined_d0.010.01226244
X-RAY DIFFRACTIONr_angle_refined_deg1.6981.66635695
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.71353217
X-RAY DIFFRACTIONr_dihedral_angle_2_deg30.34420.7861298
X-RAY DIFFRACTIONr_dihedral_angle_3_deg20.408154544
X-RAY DIFFRACTIONr_dihedral_angle_4_deg25.02815239
X-RAY DIFFRACTIONr_chiral_restr0.1150.23572
X-RAY DIFFRACTIONr_gen_planes_refined0.0110.0219553
X-RAY DIFFRACTIONr_nbd_refined0.2590.213605
X-RAY DIFFRACTIONr_nbtor_refined0.3130.218020
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.2140.2756
X-RAY DIFFRACTIONr_metal_ion_refined0.2250.213
X-RAY DIFFRACTIONr_symmetry_nbd_refined0.390.2268
X-RAY DIFFRACTIONr_symmetry_xyhbond_nbd_refined0.3790.223
X-RAY DIFFRACTIONr_mcbond_it7.9576.68212922
X-RAY DIFFRACTIONr_mcangle_it11.3949.99916121
X-RAY DIFFRACTIONr_scbond_it8.1066.61213322
X-RAY DIFFRACTIONr_scangle_it10.8679.88119574
X-RAY DIFFRACTIONr_lrange_it14.899126.355105394
X-RAY DIFFRACTIONr_ncsr_local_group_10.1830.055425
X-RAY DIFFRACTIONr_ncsr_local_group_20.1740.055632
X-RAY DIFFRACTIONr_ncsr_local_group_30.1910.055370
X-RAY DIFFRACTIONr_ncsr_local_group_40.1790.055539
X-RAY DIFFRACTIONr_ncsr_local_group_50.1850.055446
X-RAY DIFFRACTIONr_ncsr_local_group_60.1720.055604
X-RAY DIFFRACTIONr_ncsr_local_group_70.1880.055498
X-RAY DIFFRACTIONr_ncsr_local_group_80.170.055674
X-RAY DIFFRACTIONr_ncsr_local_group_90.1980.055221
X-RAY DIFFRACTIONr_ncsr_local_group_100.1680.055682
X-RAY DIFFRACTIONr_ncsr_local_group_110.190.055323
X-RAY DIFFRACTIONr_ncsr_local_group_120.1760.055623
X-RAY DIFFRACTIONr_ncsr_local_group_130.1930.055415
X-RAY DIFFRACTIONr_ncsr_local_group_140.1660.055661
X-RAY DIFFRACTIONr_ncsr_local_group_150.1930.055415
X-RAY DIFFRACTIONr_ncsr_local_group_160.1840.055434
X-RAY DIFFRACTIONr_ncsr_local_group_170.1610.055587
X-RAY DIFFRACTIONr_ncsr_local_group_180.1820.055413
X-RAY DIFFRACTIONr_ncsr_local_group_190.1670.055673
X-RAY DIFFRACTIONr_ncsr_local_group_200.1790.055465
X-RAY DIFFRACTIONr_ncsr_local_group_210.1620.055671
X-RAY DIFFRACTIONr_ncsr_local_group_220.1790.055518
X-RAY DIFFRACTIONr_ncsr_local_group_230.1770.055538
X-RAY DIFFRACTIONr_ncsr_local_group_240.1770.055476
X-RAY DIFFRACTIONr_ncsr_local_group_250.1710.055572
X-RAY DIFFRACTIONr_ncsr_local_group_260.1710.055490
X-RAY DIFFRACTIONr_ncsr_local_group_270.170.055665
X-RAY DIFFRACTIONr_ncsr_local_group_280.1770.055506
X-RAY DIFFRACTIONr_ncsr_local_group_290.1620.055657
X-RAY DIFFRACTIONr_ncsr_local_group_300.170.055471
X-RAY DIFFRACTIONr_ncsr_local_group_310.1650.055655
X-RAY DIFFRACTIONr_ncsr_local_group_320.1830.055466
X-RAY DIFFRACTIONr_ncsr_local_group_330.1540.055708
X-RAY DIFFRACTIONr_ncsr_local_group_340.1770.055479
X-RAY DIFFRACTIONr_ncsr_local_group_350.1560.055753
X-RAY DIFFRACTIONr_ncsr_local_group_360.1770.055273
X-RAY DIFFRACTIONr_ncsr_local_group_370.1640.055750
X-RAY DIFFRACTIONr_ncsr_local_group_380.180.055336
X-RAY DIFFRACTIONr_ncsr_local_group_390.1640.055629
X-RAY DIFFRACTIONr_ncsr_local_group_400.1780.055535
X-RAY DIFFRACTIONr_ncsr_local_group_410.1580.055703
X-RAY DIFFRACTIONr_ncsr_local_group_420.1820.055477
X-RAY DIFFRACTIONr_ncsr_local_group_430.1740.055459
X-RAY DIFFRACTIONr_ncsr_local_group_440.1660.055614
X-RAY DIFFRACTIONr_ncsr_local_group_450.1770.055460
X-RAY DIFFRACTIONr_ncsr_local_group_460.1780.055575
X-RAY DIFFRACTIONr_ncsr_local_group_470.1710.055500
X-RAY DIFFRACTIONr_ncsr_local_group_480.170.055436
X-RAY DIFFRACTIONr_ncsr_local_group_490.1780.055467
X-RAY DIFFRACTIONr_ncsr_local_group_500.1710.055522
X-RAY DIFFRACTIONr_ncsr_local_group_510.1740.055434
X-RAY DIFFRACTIONr_ncsr_local_group_520.1660.055714
X-RAY DIFFRACTIONr_ncsr_local_group_530.1750.055471
X-RAY DIFFRACTIONr_ncsr_local_group_540.1640.055601
X-RAY DIFFRACTIONr_ncsr_local_group_550.1760.055499
X-RAY DIFFRACTIONr_ncsr_local_group_560.1630.055649
X-RAY DIFFRACTIONr_ncsr_local_group_570.1750.055462
X-RAY DIFFRACTIONr_ncsr_local_group_580.1620.055668
X-RAY DIFFRACTIONr_ncsr_local_group_590.1850.055270
X-RAY DIFFRACTIONr_ncsr_local_group_600.1720.055614
X-RAY DIFFRACTIONr_ncsr_local_group_610.1850.055263
X-RAY DIFFRACTIONr_ncsr_local_group_620.1590.055682
X-RAY DIFFRACTIONr_ncsr_local_group_630.1770.055504
X-RAY DIFFRACTIONr_ncsr_local_group_640.1580.055678
X-RAY DIFFRACTIONr_ncsr_local_group_650.1810.055447
X-RAY DIFFRACTIONr_ncsr_local_group_660.1670.055531
X-RAY DIFFRACTIONr_ncsr_local_group_670.1730.055661
X-RAY DIFFRACTIONr_ncsr_local_group_680.1760.055529
X-RAY DIFFRACTIONr_ncsr_local_group_690.1670.055573
X-RAY DIFFRACTIONr_ncsr_local_group_700.1720.055492
X-RAY DIFFRACTIONr_ncsr_local_group_710.1720.055613
X-RAY DIFFRACTIONr_ncsr_local_group_720.1730.055514
X-RAY DIFFRACTIONr_ncsr_local_group_730.1610.055802
X-RAY DIFFRACTIONr_ncsr_local_group_740.1750.055527
X-RAY DIFFRACTIONr_ncsr_local_group_750.1690.055653
X-RAY DIFFRACTIONr_ncsr_local_group_760.1720.055468
X-RAY DIFFRACTIONr_ncsr_local_group_770.1590.055702
X-RAY DIFFRACTIONr_ncsr_local_group_780.1870.055342
X-RAY DIFFRACTIONr_ncsr_local_group_790.1550.055691
X-RAY DIFFRACTIONr_ncsr_local_group_800.1850.055318
X-RAY DIFFRACTIONr_ncsr_local_group_810.1540.055682
X-RAY DIFFRACTIONr_ncsr_local_group_820.1790.055511
X-RAY DIFFRACTIONr_ncsr_local_group_830.1450.055772
X-RAY DIFFRACTIONr_ncsr_local_group_840.1810.055445
X-RAY DIFFRACTIONr_ncsr_local_group_850.1720.055590
X-RAY DIFFRACTIONr_ncsr_local_group_860.1770.055499
X-RAY DIFFRACTIONr_ncsr_local_group_870.1760.055495
X-RAY DIFFRACTIONr_ncsr_local_group_880.170.055574
X-RAY DIFFRACTIONr_ncsr_local_group_890.1720.055504
X-RAY DIFFRACTIONr_ncsr_local_group_900.1660.055727
X-RAY DIFFRACTIONr_ncsr_local_group_910.1720.055542
X-RAY DIFFRACTIONr_ncsr_local_group_920.1760.055669
X-RAY DIFFRACTIONr_ncsr_local_group_930.180.055336
X-RAY DIFFRACTIONr_ncsr_local_group_940.1610.055738
X-RAY DIFFRACTIONr_ncsr_local_group_950.1830.055443
X-RAY DIFFRACTIONr_ncsr_local_group_960.1580.055707
X-RAY DIFFRACTIONr_ncsr_local_group_970.1710.055561
X-RAY DIFFRACTIONr_ncsr_local_group_980.1530.055752
X-RAY DIFFRACTIONr_ncsr_local_group_990.1770.055520
X-RAY DIFFRACTIONr_ncsr_local_group_1000.1890.055258
X-RAY DIFFRACTIONr_ncsr_local_group_1010.1670.055531
X-RAY DIFFRACTIONr_ncsr_local_group_1020.1840.055311
X-RAY DIFFRACTIONr_ncsr_local_group_1030.1690.055541
X-RAY DIFFRACTIONr_ncsr_local_group_1040.190.055295
X-RAY DIFFRACTIONr_ncsr_local_group_1050.1730.055457
X-RAY DIFFRACTIONr_ncsr_local_group_1060.1810.055364
X-RAY DIFFRACTIONr_ncsr_local_group_1070.1610.055660
X-RAY DIFFRACTIONr_ncsr_local_group_1080.1830.055512
X-RAY DIFFRACTIONr_ncsr_local_group_1090.150.055754
X-RAY DIFFRACTIONr_ncsr_local_group_1100.1780.055481
X-RAY DIFFRACTIONr_ncsr_local_group_1110.1880.055323
X-RAY DIFFRACTIONr_ncsr_local_group_1120.1720.055661
X-RAY DIFFRACTIONr_ncsr_local_group_1130.180.055407
X-RAY DIFFRACTIONr_ncsr_local_group_1140.1650.055553
X-RAY DIFFRACTIONr_ncsr_local_group_1150.1750.055491
X-RAY DIFFRACTIONr_ncsr_local_group_1160.1510.055697
X-RAY DIFFRACTIONr_ncsr_local_group_1170.1790.055495
X-RAY DIFFRACTIONr_ncsr_local_group_1180.1750.055521
X-RAY DIFFRACTIONr_ncsr_local_group_1190.1680.055696
X-RAY DIFFRACTIONr_ncsr_local_group_1200.1770.055496
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDタイプRms dev position (Å)Weight position
11AX-RAY DIFFRACTIONLocal ncs0.182760.05008
12BX-RAY DIFFRACTIONLocal ncs0.182760.05008
23AX-RAY DIFFRACTIONLocal ncs0.17360.05009
24CX-RAY DIFFRACTIONLocal ncs0.17360.05009
35AX-RAY DIFFRACTIONLocal ncs0.190730.05008
36DX-RAY DIFFRACTIONLocal ncs0.190730.05008
47AX-RAY DIFFRACTIONLocal ncs0.179480.05009
48EX-RAY DIFFRACTIONLocal ncs0.179480.05009
59AX-RAY DIFFRACTIONLocal ncs0.185270.05009
510FX-RAY DIFFRACTIONLocal ncs0.185270.05009
611AX-RAY DIFFRACTIONLocal ncs0.171950.05009
612GX-RAY DIFFRACTIONLocal ncs0.171950.05009
713AX-RAY DIFFRACTIONLocal ncs0.187670.05008
714HX-RAY DIFFRACTIONLocal ncs0.187670.05008
815AX-RAY DIFFRACTIONLocal ncs0.170440.05009
816IX-RAY DIFFRACTIONLocal ncs0.170440.05009
917AX-RAY DIFFRACTIONLocal ncs0.1980.05008
918JX-RAY DIFFRACTIONLocal ncs0.1980.05008
1019AX-RAY DIFFRACTIONLocal ncs0.167930.05009
1020KX-RAY DIFFRACTIONLocal ncs0.167930.05009
1121AX-RAY DIFFRACTIONLocal ncs0.189780.05008
1122LX-RAY DIFFRACTIONLocal ncs0.189780.05008
1223AX-RAY DIFFRACTIONLocal ncs0.175890.05009
1224MX-RAY DIFFRACTIONLocal ncs0.175890.05009
1325AX-RAY DIFFRACTIONLocal ncs0.192950.05008
1326NX-RAY DIFFRACTIONLocal ncs0.192950.05008
1427AX-RAY DIFFRACTIONLocal ncs0.165530.05009
1428OX-RAY DIFFRACTIONLocal ncs0.165530.05009
1529AX-RAY DIFFRACTIONLocal ncs0.193370.05008
1530PX-RAY DIFFRACTIONLocal ncs0.193370.05008
1631BX-RAY DIFFRACTIONLocal ncs0.183510.05008
1632CX-RAY DIFFRACTIONLocal ncs0.183510.05008
1733BX-RAY DIFFRACTIONLocal ncs0.160620.05009
1734DX-RAY DIFFRACTIONLocal ncs0.160620.05009
1835BX-RAY DIFFRACTIONLocal ncs0.181870.05008
1836EX-RAY DIFFRACTIONLocal ncs0.181870.05008
1937BX-RAY DIFFRACTIONLocal ncs0.166580.05009
1938FX-RAY DIFFRACTIONLocal ncs0.166580.05009
2039BX-RAY DIFFRACTIONLocal ncs0.179130.05009
2040GX-RAY DIFFRACTIONLocal ncs0.179130.05009
2141BX-RAY DIFFRACTIONLocal ncs0.161770.05009
2142HX-RAY DIFFRACTIONLocal ncs0.161770.05009
2243BX-RAY DIFFRACTIONLocal ncs0.179460.05009
2244IX-RAY DIFFRACTIONLocal ncs0.179460.05009
2345BX-RAY DIFFRACTIONLocal ncs0.177480.05009
2346JX-RAY DIFFRACTIONLocal ncs0.177480.05009
2447BX-RAY DIFFRACTIONLocal ncs0.176880.05008
2448KX-RAY DIFFRACTIONLocal ncs0.176880.05008
2549BX-RAY DIFFRACTIONLocal ncs0.170820.05008
2550LX-RAY DIFFRACTIONLocal ncs0.170820.05008
2651BX-RAY DIFFRACTIONLocal ncs0.171240.05008
2652MX-RAY DIFFRACTIONLocal ncs0.171240.05008
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LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.803-2.8750.3363760.2677076X-RAY DIFFRACTION89.2028
2.875-2.9540.2894060.2247037X-RAY DIFFRACTION91.9343
2.954-3.040.3123390.2047089X-RAY DIFFRACTION93.6342
3.04-3.1330.2563100.1816820X-RAY DIFFRACTION93.4714
3.133-3.2360.2623250.186713X-RAY DIFFRACTION94.9669
3.236-3.350.2633830.1856399X-RAY DIFFRACTION94.2206
3.35-3.4760.2033680.1656271X-RAY DIFFRACTION95.5802
3.476-3.6180.2892950.1676168X-RAY DIFFRACTION96.1327
3.618-3.7790.2533780.1815810X-RAY DIFFRACTION97.3568
3.779-3.9630.2332910.175627X-RAY DIFFRACTION97.1119
3.963-4.1770.1852910.175379X-RAY DIFFRACTION97.4897
4.177-4.430.2293510.1655052X-RAY DIFFRACTION97.3163
4.43-4.7360.1733280.1514716X-RAY DIFFRACTION98.2087
4.736-5.1150.2162310.1624498X-RAY DIFFRACTION97.6461
5.115-5.6020.1732570.1854033X-RAY DIFFRACTION97.8112
5.602-6.2630.2582330.2053743X-RAY DIFFRACTION98.6845
6.263-7.2290.3041660.1923349X-RAY DIFFRACTION98.8192
7.229-8.8490.1792390.1712666X-RAY DIFFRACTION98.6083

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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://pdbjlvh1.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