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- PDB-5br8: Ambient-temperature crystal structure of 30S ribosomal subunit fr... -

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基本情報

登録情報
データベース: PDB / ID: 5br8
タイトルAmbient-temperature crystal structure of 30S ribosomal subunit from Thermus thermophilus in complex with paromomycin
要素
  • (30S ribosomal protein ...) x 20
  • 16S ribosomal RNA
キーワードRIBOSOME / 30S ribosomal subunit / Paromomycin / Ambient temperature / SFX / electrospinning
機能・相同性
機能・相同性情報


ribosomal small subunit biogenesis / ribosomal small subunit assembly / small ribosomal subunit / cytosolic small ribosomal subunit / small ribosomal subunit rRNA binding / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / translation ...ribosomal small subunit biogenesis / ribosomal small subunit assembly / small ribosomal subunit / cytosolic small ribosomal subunit / small ribosomal subunit rRNA binding / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / translation / ribonucleoprotein complex / mRNA binding / zinc ion binding / metal ion binding / cytosol / cytoplasm
類似検索 - 分子機能
S16 Ribosomal Protein; Chain: A; / Ribosomal protein S16 / Ribosomal protein S18 / 30s Ribosomal Protein S18 / 30s ribosomal protein s13; domain 2 / Ribosomal protein S13/S18, C-terminal domain / Ribosomal protein S20 / 30s Ribosomal Protein S19; Chain A / Ribosomal protein S19/S15 / Ribosomal protein S3, C-terminal domain ...S16 Ribosomal Protein; Chain: A; / Ribosomal protein S16 / Ribosomal protein S18 / 30s Ribosomal Protein S18 / 30s ribosomal protein s13; domain 2 / Ribosomal protein S13/S18, C-terminal domain / Ribosomal protein S20 / 30s Ribosomal Protein S19; Chain A / Ribosomal protein S19/S15 / Ribosomal protein S3, C-terminal domain / Ribosomal Protein S14/S29 / 30s Ribosomal Protein S14; Chain N / Ribosomal protein S4/S9, N-terminal domain / Ribosomal Protein S4 Delta 41; Chain A, domain 1 / Ribosomal Protein S8; Chain: A, domain 1 - #30 / Ribosomal protein S3 C-terminal domain / Ribosomal protein S6/Translation elongation factor EF1B / Dna Ligase; domain 1 - #10 / Ribosomal protein S11/S14 / Ribosomal protein S10 / S15/NS1, RNA-binding / Helix hairpin bin / Ribosomal Protein S7 / Ribosomal protein S7/S5 / RNA-binding S4 domain / Structural Genomics Hypothetical 15.5 Kd Protein In mrcA-pckA Intergenic Region; Chain A / K homology (KH) domain / Helicase, Ruva Protein; domain 3 - #50 / Double Stranded RNA Binding Domain - #20 / Glucose-6-phosphate isomerase like protein; domain 1 / Ribosomal Protein S8; Chain: A, domain 1 / Ribosomal Protein S5; domain 2 - #10 / 30S ribosomal protein Thx / 30S ribosomal protein Thx / 30S ribosomal protein / GMP Synthetase; Chain A, domain 3 / Ribosomal Protein S5; domain 2 / Ribosomal protein S14, type Z / Double Stranded RNA Binding Domain / Helicase, Ruva Protein; domain 3 / Nucleic acid-binding proteins / Dna Ligase; domain 1 / Methane Monooxygenase Hydroxylase; Chain G, domain 1 / Ribosomal protein S19, bacterial-type / Ribosomal protein S3, bacterial-type / Ribosomal protein S13, bacterial-type / Ribosomal protein S6, conserved site / Ribosomal protein S6 signature. / Ribosomal protein S7, bacterial/organellar-type / Ribosomal protein S9, bacterial/plastid / Ribosomal protein S11, bacterial-type / Ribosomal protein S20 / Ribosomal protein S20 superfamily / Ribosomal protein S20 / Ribosomal protein S4, bacterial-type / 30S ribosomal protein S17 / Ribosomal protein S5, bacterial-type / Ribosomal protein S14/S29 / Ribosomal protein S2, bacteria/mitochondria/plastid / Ribosomal protein S18, conserved site / Ribosomal protein S18 signature. / Ribosomal protein S6, plastid/chloroplast / Ribosomal protein S16 / Ribosomal protein S16 domain superfamily / Ribosomal protein S16 / Ribosomal protein S15, bacterial-type / Ribosomal protein S12, bacterial-type / Ribosomal protein S18 / Ribosomal protein S18 / Ribosomal protein S18 superfamily / K Homology domain / K homology RNA-binding domain / Ribosomal protein S6 / Ribosomal protein S6 / Ribosomal protein S6 superfamily / Translation elongation factor EF1B/ribosomal protein S6 / Few Secondary Structures / Irregular / Ribosomal protein S3, conserved site / Ribosomal protein S3 signature. / Ribosomal protein S10, conserved site / Ribosomal protein S10 signature. / Ribosomal protein S14, conserved site / Ribosomal protein S14 signature. / Ribosomal protein S2 signature 1. / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / KH domain / Type-2 KH domain profile. / K Homology domain, type 2 / Ribosomal protein S3, C-terminal / Ribosomal protein S3, C-terminal domain / Ribosomal protein S3, C-terminal domain superfamily / Ribosomal protein S15/S19, conserved site / Ribosomal protein S19 signature. / Ribosomal protein S10 / Ribosomal protein S19/S15 / Ribosomal protein S19/S15, superfamily / Ribosomal protein S19 / : / Ribosomal protein S5, N-terminal, conserved site
類似検索 - ドメイン・相同性
PAROMOMYCIN / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS7 ...PAROMOMYCIN / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS7 / Small ribosomal subunit protein uS2 / Small ribosomal subunit protein uS3 / Small ribosomal subunit protein uS4 / Small ribosomal subunit protein uS9 / Small ribosomal subunit protein uS11 / Small ribosomal subunit protein uS13 / Small ribosomal subunit protein bS20 / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein uS10 / Small ribosomal subunit protein uS19 / 30S ribosomal protein S17 / 30S ribosomal protein S14 type Z / 30S ribosomal protein S8 / Small ribosomal subunit protein uS5 / Small ribosomal subunit protein bTHX / Small ribosomal subunit protein uS15 / Small ribosomal subunit protein bS16 / Small ribosomal subunit protein bS6 / Small ribosomal subunit protein bS18
類似検索 - 構成要素
生物種Thermus thermophilus (バクテリア)
手法X線回折 / 自由電子レーザー / 分子置換 / 解像度: 3.4 Å
データ登録者Sierra, R.G. / Gati, C. / Laksmono, H. / Dao, E.H. / Gul, S. / Fuller, F. / Kern, J. / Chatterjee, R. / Ibrahim, M. / Brewster, A. ...Sierra, R.G. / Gati, C. / Laksmono, H. / Dao, E.H. / Gul, S. / Fuller, F. / Kern, J. / Chatterjee, R. / Ibrahim, M. / Brewster, A. / Young, I.D. / Michels-Clark, T. / Aquila, A. / Mengning, L. / Hunter, M.S. / Koglin, J.E. / Boutet, S. / Junco, E.A. / Hayes, B. / Bogan, M.J. / Hampton, C.Y. / Puglisi, E.V. / Sauter, N.K. / Stan, C.A. / Zouni, A. / Yano, J. / Yachandra, V.K. / Soltis, S.M. / Puglisi, J.D. / DeMirci, H.
資金援助 米国, 2件
組織認可番号国
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM51266 米国
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM082545 米国
引用ジャーナル: To Be Published
タイトル: Ambient-temperature crystal structure of 30S ribosomal subunit from Thermus thermophilus in complex with paromomycin
著者: Sierra, R.G. / Gati, C. / Laksmono, H. / Dao, E.H. / Gul, S. / Fuller, F. / Kern, J. / Chatterjee, R. / Ibrahim, M. / Brewster, A. / Young, I.D. / Michels-Clark, T. / Aquila, A. / Mengning, L. ...著者: Sierra, R.G. / Gati, C. / Laksmono, H. / Dao, E.H. / Gul, S. / Fuller, F. / Kern, J. / Chatterjee, R. / Ibrahim, M. / Brewster, A. / Young, I.D. / Michels-Clark, T. / Aquila, A. / Mengning, L. / Hunter, M.S. / Koglin, J.E. / Boutet, S. / Junco, E.A. / Hayes, B. / Bogan, M.J. / Hampton, C.Y. / Puglisi, E.V. / Sauter, N.K. / Stan, C.A. / Zouni, A. / Yano, J. / Yachandra, V.K. / Soltis, S.M. / Puglisi, J.D. / DeMirci, H.
履歴
登録2015年5月29日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02015年11月18日Provider: repository / タイプ: Initial release
改定 1.12016年5月4日Group: Structure summary
改定 1.22017年9月13日Group: Author supporting evidence / Derived calculations / カテゴリ: pdbx_audit_support / pdbx_struct_oper_list
Item: _pdbx_audit_support.funding_organization / _pdbx_struct_oper_list.symmetry_operation
改定 1.32019年12月25日Group: Author supporting evidence / カテゴリ: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
改定 1.42023年9月27日Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description / Structure summary
カテゴリ: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_conn_type
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr1_symmetry / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.ptnr3_symmetry / _pdbx_struct_conn_angle.value / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_conn.ptnr2_symmetry / _struct_conn_type.id
改定 1.52023年11月15日Group: Data collection / カテゴリ: chem_comp_atom / chem_comp_bond / Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2
改定 1.62025年2月12日Group: Data collection / Structure summary
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_entry_details / pdbx_modification_feature
Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_1 ..._chem_comp_atom.atom_id / _chem_comp_bond.atom_id_1 / _chem_comp_bond.atom_id_2 / _chem_comp_bond.pdbx_aromatic_flag / _chem_comp_bond.value_order

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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: 16S ribosomal RNA
B: 30S ribosomal protein S2
C: 30S ribosomal protein S3
D: 30S ribosomal protein S4
E: 30S ribosomal protein S5
F: 30S ribosomal protein S6
G: 30S ribosomal protein S7
H: 30S ribosomal protein S8
I: 30S ribosomal protein S9
J: 30S ribosomal protein S10
K: 30S ribosomal protein S11
L: 30S ribosomal protein S12
M: 30S ribosomal protein S13
N: 30S ribosomal protein S14 type Z
O: 30S ribosomal protein S15
P: 30S ribosomal protein S16
Q: 30S ribosomal protein S17
R: 30S ribosomal protein S18
S: 30S ribosomal protein S19
T: 30S ribosomal protein S20
U: 30S ribosomal protein Thx
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)794,735316
ポリマ－783,93521
非ポリマー10,800295
水5,549308
1


  • 登録構造と同一
  • 登録者・ソフトウェアが定義した集合体
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area104270 Å2
ΔGint-865 kcal/mol
Surface area270870 Å2
手法PISA
単位格子
Length a, b, c (Å)401.300, 401.300, 176.400
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number92
Space group name H-MP41212

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要素

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RNA鎖 , 1種, 1分子 A

#1: RNA鎖 16S ribosomal RNA


分子量: 494169.750 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: GenBank: 55771382

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30S ribosomal protein ... , 20種, 20分子 BCDEFGHIJKLMNOPQRSTU

#2: タンパク質 30S ribosomal protein S2


分子量: 29317.703 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: P80371
#3: タンパク質 30S ribosomal protein S3


分子量: 26751.076 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: P80372
#4: タンパク質 30S ribosomal protein S4


分子量: 24373.447 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: P80373
#5: タンパク質 30S ribosomal protein S5


分子量: 17583.416 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: Q5SHQ5
#6: タンパク質 30S ribosomal protein S6 / TS9


分子量: 11988.753 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: Q5SLP8
#7: タンパク質 30S ribosomal protein S7


分子量: 18050.973 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: P17291
#8: タンパク質 30S ribosomal protein S8


分子量: 15868.570 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: Q5SHQ2, UniProt: P0DOY9*PLUS
#9: タンパク質 30S ribosomal protein S9


分子量: 14410.614 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: P80374
#10: タンパク質 30S ribosomal protein S10


分子量: 11954.968 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: Q5SHN7
#11: タンパク質 30S ribosomal protein S11


分子量: 13737.868 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: P80376
#12: タンパク質 30S ribosomal protein S12


分子量: 14966.846 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: Q5SHN3
#13: タンパク質 30S ribosomal protein S13


分子量: 14338.861 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: P80377
#14: タンパク質 30S ribosomal protein S14 type Z


分子量: 7158.725 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: Q5SHQ1, UniProt: P0DOY6*PLUS
#15: タンパク質 30S ribosomal protein S15


分子量: 10578.407 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: Q5SJ76
#16: タンパク質 30S ribosomal protein S16


分子量: 10409.983 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: Q5SJH3
#17: タンパク質 30S ribosomal protein S17


分子量: 12324.670 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: Q5SHP7, UniProt: P0DOY7*PLUS
#18: タンパク質 30S ribosomal protein S18


分子量: 10258.299 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: Q5SLQ0
#19: タンパク質 30S ribosomal protein S19


分子量: 10605.464 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: Q5SHP2
#20: タンパク質 30S ribosomal protein S20


分子量: 11736.143 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: P80380
#21: タンパク質・ペプチド 30S ribosomal protein Thx / S31


分子量: 3350.030 Da / 分子数: 1 / 由来タイプ: 天然
由来: (天然) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (バクテリア)
株: HB8 / ATCC 27634 / DSM 579 / 参照: UniProt: Q5SIH3

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非ポリマー , 4種, 603分子

#22: 化合物
ChemComp-PAR / PAROMOMYCIN / PAROMOMYCIN I / AMMINOSIDIN / CATENULIN / CRESTOMYCIN / MONOMYCIN A / NEOMYCIN E / パロモマイシン


分子量: 615.628 Da / 分子数: 6 / 由来タイプ: 合成 / 式: C23H45N5O14 / コメント: 抗菌剤, 薬剤*YM
#23: 化合物...
ChemComp-MG / MAGNESIUM ION / マグネシウムジカチオン


分子量: 24.305 Da / 分子数: 287 / 由来タイプ: 天然 / 式: Mg
#24: 化合物 ChemComp-ZN / ZINC ION


分子量: 65.409 Da / 分子数: 2 / 由来タイプ: 合成 / 式: Zn
#25: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 308 / 由来タイプ: 天然 / 式: H2O

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詳細

Has protein modificationY

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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: 4.59 Å3/Da / 溶媒含有率: 73.21 %
結晶化温度: 277 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 6.5 / 詳細: MPD

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データ収集

回折平均測定温度: 293 K
放射光源由来: 自由電子レーザー / サイト: SLAC LCLS / ビームライン: CXI / 波長: 1.29 Å
検出器タイプ: CS-PAD CXI-1 / 検出器: PIXEL / 日付: 2014年11月17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: 1.29 Å / 相対比: 1
反射解像度: 3.4→52.84 Å / Num. obs: 195895 / % possible obs: 100 % / 冗長度: 15.5 % / Rmerge(I) obs: 0.29 / Net I/σ(I): 3
反射 シェル最高解像度: 3.4 Å / Rmerge(I) obs: 0.87 / % possible all: 100

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解析

ソフトウェア
名称バージョン分類
PHENIXdev_1938精密化
CrystFELデータ削減
CrystFELデータスケーリング
PHASER位相決定
精密化構造決定の手法: 分子置換
開始モデル: 4DR2

4dr2


解像度: 3.4→52.84 Å / SU ML: 0.46 / 交差検証法: FREE R-VALUE / σ(F): 1.33 / 位相誤差: 23.79 / 立体化学のターゲット値: ML
Rfactor反射数%反射
Rfree0.2336 1413 0.72 %
Rwork0.1928 --
obs0.1931 195895 99.98 %
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL
精密化ステップサイクル: LAST / 解像度: 3.4→52.84 Å
タンパク質核酸リガンド溶媒全体
原子数19143 32504 541 308 52496
拘束条件
Refine-IDタイプDev ideal数
X-RAY DIFFRACTIONf_bond_d0.00656417
X-RAY DIFFRACTIONf_angle_d0.85983597
X-RAY DIFFRACTIONf_dihedral_angle_d20.27726590
X-RAY DIFFRACTIONf_chiral_restr0.0410505
X-RAY DIFFRACTIONf_plane_restr0.0044897
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.4-3.52150.3571390.311319216X-RAY DIFFRACTION100
3.5215-3.66250.29071400.27519229X-RAY DIFFRACTION100
3.6625-3.82910.31821410.24919273X-RAY DIFFRACTION100
3.8291-4.03090.28081390.216719286X-RAY DIFFRACTION100
4.0309-4.28340.22711410.199919347X-RAY DIFFRACTION100
4.2834-4.61390.22431410.182419392X-RAY DIFFRACTION100
4.6139-5.07790.21631410.166819425X-RAY DIFFRACTION100
5.0779-5.81190.22651410.162719466X-RAY DIFFRACTION100
5.8119-7.31920.18541440.166719666X-RAY DIFFRACTION100
7.3192-52.83580.2121460.175520182X-RAY DIFFRACTION100
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)
10.3476-0.1627-0.09130.3390.1010.26720.0464-0.11920.0883-0.02920.04780.013-0.0199-0.0361-0.09820.6272-0.1013-0.01610.6803-0.08030.9913-116.46656.152232.2927
20.61590.23910.02461.11630.05790.41350.0873-0.2739-0.09380.58180.0318-0.27850.19150.2203-0.10581.14010.1665-0.32520.796-0.1490.949-70.7711-23.167453.6399
30.3232-0.9759-0.4052.05440.60540.07850.12650.126-0.40690.0976-0.19790.67820.0261-0.18380.08530.8248-0.08010.00060.9039-0.08351.1882-130.863336.515619.3533
44.92696.1031-6.69197.6774-8.35449.1371-0.51570.5313-1.91440.9138-0.3470.52162.951-0.96180.79743.4343-0.52840.75071.5918-0.47332.3757-88.2565-3.83711.4353
57.7545-0.6646-2.1574.1513-2.25282.0509-0.21411.14-2.0221-0.81690.6677-1.0098-0.40721.2362-0.27590.7002-0.37870.09551.8097-0.39841.2197-43.07743.20868.4124
63.8124-1.16122.04872.2615-2.95494.6285-0.18030.8960.6946-0.0355-0.0552-0.4856-1.29321.16840.3930.6772-0.32480.16491.1773-0.18171.7448-44.13549.407517.023
78.17771.55863.35232.0713-3.16189.5272-0.66610.652-0.86050.08370.2956-1.34981.18872.46960.25650.56060.1552-0.03920.9458-0.1011.5114-37.715132.603825.3564
82.0338-2.0893-2.04723.40730.50394.06660.2761-0.30910.04010.48610.3511-0.63990.13210.522-0.59410.8875-0.0246-0.46710.8594-0.37521.6531-42.861525.365937.2834
94.18042.1619-5.39559.292-3.28397.15970.6088-0.9723-1.48990.44910.1268-1.31422.92621.2508-0.72041.46880.2962-0.61081.2033-0.02671.817-38.2959.351939.2159
103.51871.442-1.14812.0753-2.37712.83630.14960.582-0.05810.10440.2499-0.5758-0.10350.987-0.28370.61-0.1408-0.02051.0891-0.43111.6786-43.770839.408825.9813
115.1477-2.7343-5.32762.7212.04765.99430.7122-0.2854-0.3020.12781.7406-2.4555-0.50322.8796-2.39351.09680.040.09633.0359-0.07962.5561-25.74236.528321.1686
121.65960.94451.09110.6921.37544.4003-0.03-0.46130.01050.54890.0633-0.542-0.65650.0633-0.02121.49810.2099-0.59610.9239-0.12250.871-57.714-6.271177.5961
136.42010.6641-1.0560.7951-0.93751.14250.1224-0.19660.14020.5266-0.29740.0436-0.4950.07530.11961.3448-0.0621-0.46750.8029-0.36631.1252-66.50789.197362.1014
149.3223.77574.74627.9592-1.19117.73510.7885-0.68620.87630.9019-0.2992-0.1346-0.56360.5359-0.45690.8115-0.05560.0180.8802-0.17020.7866-88.329345.6882.0467
151.86241.43970.99039.2578-6.84749.8288-0.1295-0.6788-0.30840.27430.3428-0.2450.90080.6719-0.18470.61030.1185-0.05531.0518-0.10810.8078-86.806639.576969.7962
162.1401-0.4664-3.29282.96550.07248.3950.0666-0.32790.13260.04850.4447-0.2399-0.11150.0307-0.4970.4253-0.0496-0.11780.8686-0.30280.9398-95.793663.572475.3179
175.51433.0745-1.59514.3554-1.59855.51640.6783-1.86060.70261.51730.0238-0.9340.19981.1239-0.61570.91220.0399-0.20931.3478-0.45280.9126-89.151767.661991.6298
184.4562-1.9502-2.36116.10024.27145.09230.00440.5923-0.44790.02630.8518-1.139-0.21541.2282-0.84290.4015-0.1203-0.11640.9063-0.01880.8484-85.70560.060967.6294
196.35553.6394-1.29253.75241.61593.68660.6678-1.44130.13071.2381-0.2737-1.24960.3091-0.0355-0.35361.1616-0.1913-0.28720.7135-0.18830.6297-73.057537.65352.6269
201.2581.83582.51984.10566.10839.25060.2202-0.1208-0.02610.2646-0.2686-0.24620.85751.28830.04040.8740.1314-0.33050.8064-0.19070.9382-77.824515.569341.9574
214.83365.08653.03815.46253.91056.4795-0.2271-0.53170.28080.40620.2996-1.4202-0.17330.4227-0.28740.38890.0235-0.22690.685-0.26751.2184-70.460437.58549.0703
223.59252.39690.05014.2866-4.10946.4346-0.0304-0.25390.15230.1923-0.4767-1.30050.28390.90290.48390.54960.3319-0.28790.9202-0.43881.1876-66.666831.774349.8141
237.0887-0.05224.18071.0215-2.16326.9218-0.316-0.15860.91230.05750.5015-1.118-0.99870.647-0.23070.7559-0.2152-0.10810.715-0.35481.2831-70.821654.200744.9692
243.8583.73834.36883.92225.31098.8248-0.35840.4895-0.3617-0.8935-0.80661.63820.1056-0.85611.17940.7406-0.1548-0.10140.5653-0.08211.5317-80.040647.028133.7638
254.3418-1.9596-3.00783.7057-0.78663.71860.2327-0.4280.1180.3397-0.17950.1379-0.57740.14410.08270.3448-0.0549-0.09910.737-0.38420.9547-83.305953.823145.5282
266.62880.37260.34872.9478-1.23050.58550.0991-0.29120.2090.3452-0.1297-0.167-0.0257-0.069-0.00570.5714-0.0243-0.09580.5094-0.18030.6484-79.350446.179244.1042
272.39180.91770.32542.9902-3.97556.4122-0.98260.37110.845-0.21510.3662-1.5454-1.64441.40140.58920.8334-0.3099-0.15011.0726-0.42491.3857-66.229863.076835.0778
284.978-0.86161.24082.2721.63563.49170.10830.91580.7047-0.5494-0.3466-0.06920.050.59320.28531.5207-0.33640.07251.04090.15440.4165-86.13125.9366-48.9802
297.4742-4.3353-1.04147.7097-2.40188.77650.16090.3526-0.0614-1.41410.3627-0.2319-0.0539-0.1295-0.50991.1477-0.2528-0.02260.6174-0.1260.6662-85.278424.943-42.6111
305.1102-3.72956.15754.9856-3.99669.3106-0.95411.90822.24790.3195-0.7617-2.2553-0.92351.21111.59451.4183-0.59050.32151.05320.14861.3575-69.074833.9858-29.1386
312.32370.1482-1.32845.343-0.70930.8312-0.0408-0.16492.77-0.79220.3523-5.3048-0.49610.9327-0.28620.9594-0.0420.14351.1473-0.19781.9541-57.8208-17.94220.2881
325.4193-5.064-6.58045.70585.11259.091-0.7081-1.0956-0.7969-0.0965-1.1580.1172-0.8994-0.80191.83160.65950.1462-0.31640.9179-0.20591.5127-48.6521-40.019818.415
335.5393.545-3.36342.7585-2.97228.59520.34350.1526-0.6253-0.2942-0.94050.2542-0.15350.38150.65240.93650.2244-0.40560.6682-0.21451.2955-58.0662-45.508620.7348
340.64151.0218-0.07592.2008-0.81270.8448-0.00860.4977-0.2961-1.0021-0.5499-0.00460.4872-0.29550.41571.64130.66580.07341.2038-0.62961.9496-54.3412-54.05636.4197
359.3501-6.80264.99786.9523-6.29226.3079-0.48020.03990.5133-0.39310.1443-0.63120.38-0.40350.30751.2226-0.12630.01260.7188-0.39370.8436-64.8707-33.36246.2349
366.9359-2.1144.91245.9608-4.30965.1814-1.3757-2.97782.31982.02471.6214-1.1829-0.5811-1.4654-0.34431.36010.103-0.14241.1409-0.21030.9368-76.5216-19.6015.3931
374.15492.968-0.74092.9662-1.58761.5167-0.09980.04790.96330.52620.15031.2022-0.51740.0544-0.08470.95480.2784-0.18210.6875-0.20461.2514-65.5509-35.238313.0049
384.93385.8382-5.63197.4548-5.87958.82650.0761-0.4367-0.3358-0.8988-0.017-0.85350.76510.00110.06240.77910.112-0.16420.8178-0.40081.4948-67.1086-50.807313.1779
399.6263-1.46313.73063.6107-5.7639.4156-0.1750.5013-0.1915-1.9718-0.52631.8154-0.0155-2.35410.68660.97010.0981-0.26461.0274-0.24280.82-72.6781-37.85453.5439
401.96342.64582.46043.61953.55714.1518-0.2479-1.2275-0.31283.01991.4301-4.03370.02552.6725-1.13961.48690.0212-0.6251.2425-0.09121.7443-75.7252-19.6581-0.2224
416.7547-2.5159-2.67620.93670.9991.19850.07960.4322-0.2312-0.1340.64550.03010.21860.1627-0.72160.6441-0.1740.02390.4584-0.07851.1299-77.344859.611913.8716
427.5233-4.8685.25294.6717-1.67135.66310.24490.2029-0.5504-0.91270.4232-0.01160.84280.2506-0.59170.6744-0.11560.21170.522-0.15671.3307-67.824460.549312.6772
436.87782.86686.18974.84613.99437.2808-0.2794-0.08051.33890.0899-0.2460.5865-1.07650.58610.53180.619-0.41110.31770.6512-0.26791.3036-74.27973.061716.9826
443.1072-0.93631.43551.9524-2.66875.0377-0.23120.43941.05170.0728-0.2578-0.6428-1.0521.06540.43880.5611-0.15390.03780.573-0.03351.3769-67.027869.249714.6125
452.9888-1.74062.17321.6672-1.95366.15610.21790.01780.0522-0.7063-0.0164-0.23220.20050.156-0.17940.5873-0.22360.2220.60320.03511.095-68.372866.24885.9559
461.3595-1.1256-0.17625.7982-3.75253.14390.6359-0.4755-0.53950.6072-0.07220.11170.2999-0.1057-0.54460.7551-0.2629-0.27230.7317-0.18671.1488-59.964154.174827.541
479.6219-8.0637.28547.1172-5.43766.8030.20860.0769-0.78150.13170.01890.3453-0.34340.2997-0.24090.5484-0.09690.11290.7608-0.19781.3384-70.718556.330825.9159
481.95820.87052.6813.65042.04393.8961-0.47490.2157-0.2459-0.31530.11070.06530.9494-0.73970.14160.6843-0.30190.14060.5398-0.0661.061-91.117665.680120.2547
494.726-0.31244.13033.4725-2.33585.35010.5295-0.39182.0320.4148-0.99121.9772-1.2526-0.94530.49981.15640.1277-0.12740.5602-0.18960.8758-90.106874.365732.1885
503.5043-1.79633.72634.37890.57755.748-1.1486-2.39190.23523.23880.81122.0889-2.9154-1.53040.37091.09490.21240.14931.0074-0.10650.9917-80.66565.532136.1047
517.0343-2.44495.24190.9186-1.81794.43-0.3482-0.47580.11830.8329-0.2050.5283-0.2738-0.28380.49990.6208-0.17140.2280.736-0.33011.0067-81.145473.342725.5871
522.17911.912-0.62635.9476-2.86454.59420.405-0.3955-0.32011.5535-0.7726-0.882-0.1671-0.01890.32670.7742-0.26290.14720.5354-0.38241.3321-80.014677.132928.9707
538.0317-3.7961.05594.26942.54423.9333-0.4875-0.049-0.29360.10750.4031.26140.09420.04540.05880.6292-0.2080.20490.5142-0.0810.9556-82.702368.450325.556
543.62972.7822.61112.15551.63127.5688-0.9318-0.54370.62820.42690.671-1.26630.33811.39330.29730.9010.2703-0.38241.2491-0.35691.8767-33.9204-40.122738.5951
552.4794-2.53074.15662.6445-3.99697.92960.2412-0.1379-0.6785-0.3978-0.42770.22150.1885-0.00340.11810.97070.3312-0.61991.28980.18221.8963-39.0451-50.358639.2894
563.9432-4.00961.27087.45491.99174.6825-0.48611.28680.08070.6009-0.41730.7597-0.5867-0.69350.88230.91590.3442-0.29960.9657-0.24481.2087-42.3693-45.515829.9196
574.9234.4824-0.46416.813-5.00757.8237-0.0808-1.0886-0.0937-0.5-0.0889-0.32330.7531.40560.24530.65570.3183-0.24750.8971-0.2461.2126-36.018-40.221834.8165
584.0812-3.49343.30292.9934-2.83982.741-0.1138-0.26732.29390.38330.1137-0.8862-1.2928-0.6066-0.05251.05620.47270.071.3627-0.2942.2567-28.477-30.611826.1831
593.22590.7679-0.52450.5304-1.01872.5617-0.3291-0.5045-0.2833-0.19790.2823-0.57830.80080.2604-0.011.19340.2124-0.46820.7604-0.23951.4795-53.1298-26.510837.4664
604.89982.8935-4.87089.9584-0.12517.3850.51772.16051.2592-0.0095-0.90550.2806-0.5687-1.4790.41311.20530.3259-0.42781.0417-0.11680.8664-76.2-23.137637.3299
619.1139-7.29344.10478.3168-5.75236.38970.3266-0.68350.96520.4438-0.3675-0.77710.41471.55120.03131.24290.2406-0.48611.3705-0.36521.3926-37.1753-22.948170.3038
624.55512.8532-1.43483.2378-3.78327.0534-0.3419-1.60350.48810.5459-0.3472-0.9578-0.28241.30870.90341.36260.5448-0.88771.5171-0.26881.7948-33.8665-28.906966.7309
634.73921.0766-3.16096.7093.19864.48181.1645-0.3212-0.1919-0.8567-0.5910.04391.46650.523-0.59661.85490.3678-0.09930.7767-0.08351.9293-57.8692-25.83361.1192
645.3984-6.4626-0.33749.6391-1.09721.2825-0.9896-0.57721.6450.7456-0.1396-0.6581-0.32920.01381.13911.17840.1241-0.27831.0604-0.29660.8987-64.4003-18.887157.2018
656.99861.69811.69126.299-0.62446.7620.2933-1.6701-0.71650.3624-0.9481-0.9584-0.00661.14810.78541.58820.5825-0.92792.04190.0531.6459-30.3931-32.3273.9782
664.84964.01512.16224.01373.64685.95550.32320.213-0.58490.6529-0.1534-0.58570.46330.5405-0.37032.0936-0.1399-1.08632.0952-0.64321.7756-28.1907-25.414283.2482
678.6074-0.5757-2.35360.03720.15630.64250.0022-2.3491-1.35964.26421.1077-2.47410.27521.607-0.9272.76920.4618-1.06651.2932-0.33491.6854-39.5885-16.833978.7958
683.01243.34781.97724.0013.44926.89590.11830.2794-0.3320.1805-0.5806-1.0861.16571.53260.4961.5206-0.0661-0.43081.75590.48871.4136-42.8128-29.261875.9881
696.47641.8473-4.33727.7708-4.67236.56150.84150.2631-0.2553-1.0775-0.1259-0.5335-0.86280.7902-0.7480.78560.1419-0.0610.7407-0.2991.0941-82.5785-13.3119-25.0144
702.19430.8301-0.98439.4274-5.91363.81550.51820.0521-0.08450.03480.25050.83470.54190.4504-0.69750.6677-0.0045-0.04690.8964-0.26161.0433-86.1872-17.3767-18.3272
719.4353-5.338-6.57124.02765.22616.8272-0.1899-0.204-0.9716-0.52340.15740.19631.23590.833-0.10911.0260.035-0.01280.5437-0.06920.952-79.1843-21.3875-20.277
728.39-3.30970.80929.2741-2.38284.30860.18260.28120.50070.00930.2246-1.61250.30010.5399-0.39150.74610.08680.08830.5384-0.16420.8466-75.1929-11.6073-20.6288
732.0129-1.50711.00432.27671.93167.44160.6251.2076-0.1667-1.99020.1245-3.4831-0.95161.136-0.74710.8376-0.20690.3870.69-0.18461.3372-71.5509-11.2233-25.6687
747.2224-0.9219-2.90883.4808-2.33073.3770.163-0.191-0.3148-0.42590.17530.8350.0401-0.172-0.37550.5937-0.1663-0.08650.8415-0.23241.1126-90.30636.0843-13.1429
758.25317.2148-7.04836.3989-6.20916.0329-0.10910.02960.5553-0.30560.64490.2173-0.0109-0.1977-0.53620.52660.0685-0.01680.6094-0.06940.7497-110.879246.55831.0865
763.2505-1.4181.52045.04861.2552.9980.0611-0.1467-0.7508-0.1874-0.1670.62150.5831-0.44780.05040.7185-0.14620.06450.46890.12491.0878-120.79925.803955.4628
778.97332.79310.66423.8167-3.66628.61540.79691.2852.12441.1062-0.43893.2958-0.9507-1.309-0.45181.28250.1225-0.20610.7006-0.14082.0842-85.5736-73.540235.4073
786.5176.2322-4.72446.5011-4.95274.8191-0.0314-0.03910.0228-0.3783-0.0864-0.63810.4578-0.020.1541.0992-0.3195-0.38460.50970.31251.1521-80.9179-68.436638.369
796.9043-2.2769-3.87771.66152.82624.949-0.2743-0.6456-0.98580.2726-0.06740.21391.23230.45680.36271.62020.1969-0.47620.67360.11841.3303-79.1184-75.850842.1285
806.2104-6.1466-4.4416.66395.645.8692-1.2971-1.8135-2.30392.47581.16141.62071.66010.36880.14741.36960.07320.04220.92180.33380.9762-96.1104-65.104653.165
819.28091.9051-1.13069.549-9.50049.51610.2724-0.42240.1194-0.0203-0.14450.4705-0.61390.0916-0.14761.29750.1123-0.0420.5716-0.16061.1318-101.1684-49.423658.4228
824.9027-4.1541-1.35834.58580.58440.67080.5464-0.10920.0251-0.0168-0.5650.4272-0.3492-0.20460.02471.1877-0.1801-0.10720.6717-0.14550.8228-96.8197-40.294847.0728
837.52413.3176-6.54956.3515-2.51235.72940.6133-1.2985-1.20040.45190.0066-0.00912.84711.3868-0.55971.71940.0313-0.56991.2260.18491.1371-82.0719-20.882578.5388
841.13431.7725-0.44535.7092-0.31960.22254.01-4.47850.61236.2841-3.2429-3.57294.4289-1.118-0.81151.7319-0.2826-0.37362.05840.12781.6261-80.2211-32.856983.8798
853.7491-0.9042.0859.4216-0.44461.4590.0659-0.1581-0.7313-1.52380.34790.1492-0.3803-0.1589-0.43691.52110.5611-0.29391.5596-0.30610.8078-78.0016-28.825574.5597
868.7108-4.90835.99542.8117-3.43164.22930.4536-0.79120.26120.5312-0.1036-0.580.6778-1.1911-0.28071.56470.1056-0.09081.0584-0.12680.929-74.239-16.13170.8651
875.4733-1.202-2.97533.5609-2.44994.6393-0.0926-0.1532-0.18660.65310.0444-1.0360.014-0.18160.06810.94890.0747-0.33170.6469-0.21410.843-65.0903-17.271264.0278
882.40820.0395-0.82635.57275.49645.73980.49640.94420.453-1.35870.2867-1.8142-1.8081.3347-0.81161.1079-0.23890.00410.88210.08921.1505-89.771958.2249-29.4414
897.74425.14284.1627.123.68214.89560.30770.16940.18690.1972-0.08390.2261-0.22810.5552-0.21540.8509-0.05950.28130.6196-0.03730.7246-96.054154.7824-21.7953
906.42871.1646-1.05978.92180.98976.76250.7374-0.48440.36852.0879-0.45770.2504-0.0887-0.2583-0.27990.8507-0.0582-0.02620.57680.08390.8244-98.341756.0452-11.509
916.06753.57114.06946.13846.9867.9560.3593-0.52680.67070.1657-0.70152.7016-0.9181-2.55710.28520.70350.13830.28271.07630.24491.5596-102.268868.4477-19.0195
922.19341.5204-0.79536.70650.10970.4148-0.059-0.9880.4650.2456-0.1892-1.3694-0.068-0.16060.2050.5722-0.0738-0.09670.8522-0.32761.0901-122.858482.11959.9209
930.9486-0.1762-2.28523.46590.11536.52760.4522-0.07020.39420.04020.1005-0.9323-0.5313-0.0508-0.60690.57620.02580.05380.7886-0.26571.2398-122.562384.547355.3672
941.9643-4.11584.3738.6463-9.20079.802-0.3481-0.04390.88411.1927-0.0776-1.1731-1.49171.22660.44530.9384-0.1839-0.09761.0243-0.58691.5586-113.342689.806865.2679
950.5391-1.439-0.74064.44322.90375.5168-0.09850.1340.2826-0.03650.8148-1.1824-0.52881.0597-0.69440.7052-0.22180.34190.6703-0.44441.7441-120.347298.444750.2733
963.92720.42551.58936.018-4.11654.9099-0.5059-0.94341.88771.7547-0.08170.9074-0.40840.06260.44590.82980.09540.09771.0899-0.57091.5985-124.553998.454561.197
978.75843.14114.61785.64653.24466.440.11451.01440.4089-0.20750.1391-0.5779-0.1140.498-0.21660.52180.0550.23740.50840.10150.8871-119.154879.28476.556
987.9585-5.70894.66116.957-3.73843.190.070.71010.34630.1479-0.1531-0.007-0.43620.09260.06880.63640.08560.2670.6446-0.03520.8514-115.338177.30849.2968
999.50867.5998-7.4816.0744-5.96326.013-0.60230.8579-0.9324-1.63670.7686-0.40251.1748-0.0258-0.10450.94980.0588-0.12770.8195-0.18860.6863-114.431361.13950.6369
1009.26116.65670.55684.98431.15313.2974-0.33660.3007-0.3216-0.0728-0.1078-2.09940.6441.82760.48670.9094-0.14550.18612.0714-0.6321.24-60.812418.9018-19.8204
1019.66610.7463.8284.6386-3.82915.24570.77740.5195-0.4944-0.5076-0.43720.86180.5119-0.3586-0.32571.340.0027-0.08131.4924-0.30471.7422-59.934524.4057-27.8091
1028.50631.340.32747.1303-2.71914.6993-0.40730.7353-1.50720.7547-0.5153-0.15551.2339-0.31470.83551.3191-0.19930.37690.8462-0.18151.3022-71.675627.1246-32.3639
1031.4031-1.25262.00274.7057-6.60039.3135-0.03921.0505-0.8002-1.34930.366-2.46731.04412.6688-0.44020.7143-0.1260.29060.9867-0.55071.4954-67.972418.1888-30.0177
1044.94936.92034.00969.80695.59073.2502-0.720.1903-1.12490.05751.0106-1.19861.23441.1047-0.28431.09330.03910.08560.9936-0.03051.0745-72.30412.9839-21.7179
1057.9984.91122.91378.37787.12219.42680.4363-0.11610.1450.59070.7753-0.3856-0.22280.952-1.14290.742-0.07710.20920.7562-0.10270.6555-73.692323.8171-22.6853
1064.25394.0787-0.76636.0069-2.79592.2030.90250.051-0.8152-0.8456-0.5586-0.08860.95191.4609-0.40791.02130.1968-0.11061.1115-0.25521.0163-75.13296.5327-26.7096
1078.3499-5.2194-6.15295.29196.16899.25270.21061.8020.9647-1.90830.01391.3565-2.7372-2.4259-0.26742.01110.0268-0.44311.0320.451.215-86.6333-52.409371.7378
1085.38795.2466-5.32975.2017-5.25575.31860.6518-2.07250.18641.9381-1.3320.3365-1.33661.0850.62491.947-0.24110.0381.1153-0.02030.8785-99.711-51.765186.6775
1099.2563-3.67077.29924.6195-6.06849.37820.352-0.02421.14682.1542-0.09033.2546-2.562-0.8159-0.34021.78920.2110.20840.8894-0.10551.5951-105.9139-46.572481.9206
1104.071.87545.84051.11312.55678.45330.4906-1.2656-0.42382.3593-0.3295-0.582-0.5640.0504-0.12562.32050.1764-0.1420.99790.09450.8055-94.9274-47.673773.8432
1119.1486-6.08984.04744.9074-4.57296.9643-0.2277-0.40590.09741.9562-0.47660.16120.3010.46110.76291.4452-0.1682-0.03150.89420.06560.8795-103.0663-50.404173.5672
1127.1081-6.0225.37419.0797-6.32194.8595-0.6013-1.059-0.89640.34141.8610.6049-0.6474-2.2388-1.23981.080.0625-0.05861.4550.08290.9181-102.4924-41.472362.71
1132.87032.2005-3.80821.6855-3.08988.2813-0.07090.08270.2787-0.0657-0.0539-0.10290.0077-0.40190.10160.50920.09430.13480.8446-0.20541.1941-157.778392.072325.1215
1143.35493.08382.18997.6704-1.31223.7168-0.3576-1.02280.3531-0.25220.4784-2.2307-0.21230.6445-0.10890.70560.06320.01331.05470.01561.3627-147.908894.328229.8823
1156.898-4.24096.73412.883-4.41937.90390.41210.40920.5424-0.6404-0.427-0.05751.75271.778-0.04021.10140.31770.47630.78020.01161.5324-147.458196.520313.4012
1169.94525.85567.89225.77544.836.2777-0.2766-0.5893-0.00460.3339-0.6274-0.3478-0.7402-0.01660.83871.1443-0.12280.03840.91170.35360.887-151.7715106.99455.8399
1175.54814.52225.66744.95645.44958.68581.5723-6.4361-1.86463.4846-2.6925-2.16771.82472.65171.18081.45380.0382-0.21341.77740.33551.3199-75.6146-51.97446.1005
1183.95080.2602-2.21545.36260.44143.1871-0.1651-0.12450.0835-0.03070.40310.22360.18460.1134-0.23611.3958-0.02590.13751.6358-0.14742.4048-70.5908-48.427747.8403
1197.96193.1642-1.35725.86081.80471.42410.7748-2.5669-3.23262.7351-0.2028-1.78692.61221.7915-0.54122.17020.3561-0.53721.50610.34551.6567-66.7422-54.280153.6141
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resseq 5:920)
2X-RAY DIFFRACTION2chain 'A' and (resseq 921:1400)
3X-RAY DIFFRACTION3chain 'A' and (resseq 1401:1532)
4X-RAY DIFFRACTION4chain 'A' and (resseq 1533:1541)
5X-RAY DIFFRACTION5chain 'B' and (resseq 7:25)
6X-RAY DIFFRACTION6chain 'B' and (resseq 26:64)
7X-RAY DIFFRACTION7chain 'B' and (resseq 65:86)
8X-RAY DIFFRACTION8chain 'B' and (resseq 87:122)
9X-RAY DIFFRACTION9chain 'B' and (resseq 123:148)
10X-RAY DIFFRACTION10chain 'B' and (resseq 149:226)
11X-RAY DIFFRACTION11chain 'B' and (resseq 227:240)
12X-RAY DIFFRACTION12chain 'C' and (resseq 2:112)
13X-RAY DIFFRACTION13chain 'C' and (resseq 113:207)
14X-RAY DIFFRACTION14chain 'D' and (resseq 2:34)
15X-RAY DIFFRACTION15chain 'D' and (resseq 35:67)
16X-RAY DIFFRACTION16chain 'D' and (resseq 68:148)
17X-RAY DIFFRACTION17chain 'D' and (resseq 149:181)
18X-RAY DIFFRACTION18chain 'D' and (resseq 182:209)
19X-RAY DIFFRACTION19chain 'E' and (resseq 5:14)
20X-RAY DIFFRACTION20chain 'E' and (resseq 15:27)
21X-RAY DIFFRACTION21chain 'E' and (resseq 28:50)
22X-RAY DIFFRACTION22chain 'E' and (resseq 51:63)
23X-RAY DIFFRACTION23chain 'E' and (resseq 64:79)
24X-RAY DIFFRACTION24chain 'E' and (resseq 80:86)
25X-RAY DIFFRACTION25chain 'E' and (resseq 87:103)
26X-RAY DIFFRACTION26chain 'E' and (resseq 104:140)
27X-RAY DIFFRACTION27chain 'E' and (resseq 141:154)
28X-RAY DIFFRACTION28chain 'F' and (resseq 1:32)
29X-RAY DIFFRACTION29chain 'F' and (resseq 33:92)
30X-RAY DIFFRACTION30chain 'F' and (resseq 93:101)
31X-RAY DIFFRACTION31chain 'G' and (resseq 2:11)
32X-RAY DIFFRACTION32chain 'G' and (resseq 12:20)
33X-RAY DIFFRACTION33chain 'G' and (resseq 21:52)
34X-RAY DIFFRACTION34chain 'G' and (resseq 53:57)
35X-RAY DIFFRACTION35chain 'G' and (resseq 58:79)
36X-RAY DIFFRACTION36chain 'G' and (resseq 80:92)
37X-RAY DIFFRACTION37chain 'G' and (resseq 93:109)
38X-RAY DIFFRACTION38chain 'G' and (resseq 110:129)
39X-RAY DIFFRACTION39chain 'G' and (resseq 130:144)
40X-RAY DIFFRACTION40chain 'G' and (resseq 145:156)
41X-RAY DIFFRACTION41chain 'H' and (resseq 1:18)
42X-RAY DIFFRACTION42chain 'H' and (resseq 19:29)
43X-RAY DIFFRACTION43chain 'H' and (resseq 30:41)
44X-RAY DIFFRACTION44chain 'H' and (resseq 42:53)
45X-RAY DIFFRACTION45chain 'H' and (resseq 54:62)
46X-RAY DIFFRACTION46chain 'H' and (resseq 63:72)
47X-RAY DIFFRACTION47chain 'H' and (resseq 73:85)
48X-RAY DIFFRACTION48chain 'H' and (resseq 86:95)
49X-RAY DIFFRACTION49chain 'H' and (resseq 96:100)
50X-RAY DIFFRACTION50chain 'H' and (resseq 101:106)
51X-RAY DIFFRACTION51chain 'H' and (resseq 107:116)
52X-RAY DIFFRACTION52chain 'H' and (resseq 117:127)
53X-RAY DIFFRACTION53chain 'H' and (resseq 128:138)
54X-RAY DIFFRACTION54chain 'I' and (resseq 2:25)
55X-RAY DIFFRACTION55chain 'I' and (resseq 26:32)
56X-RAY DIFFRACTION56chain 'I' and (resseq 33:53)
57X-RAY DIFFRACTION57chain 'I' and (resseq 54:88)
58X-RAY DIFFRACTION58chain 'I' and (resseq 89:97)
59X-RAY DIFFRACTION59chain 'I' and (resseq 98:117)
60X-RAY DIFFRACTION60chain 'I' and (resseq 118:128)
61X-RAY DIFFRACTION61chain 'J' and (resseq 3:29)
62X-RAY DIFFRACTION62chain 'J' and (resseq 30:42)
63X-RAY DIFFRACTION63chain 'J' and (resseq 43:47)
64X-RAY DIFFRACTION64chain 'J' and (resseq 48:70)
65X-RAY DIFFRACTION65chain 'J' and (resseq 71:78)
66X-RAY DIFFRACTION66chain 'J' and (resseq 79:85)
67X-RAY DIFFRACTION67chain 'J' and (resseq 86:93)
68X-RAY DIFFRACTION68chain 'J' and (resseq 94:100)
69X-RAY DIFFRACTION69chain 'K' and (resseq 11:34)
70X-RAY DIFFRACTION70chain 'K' and (resseq 35:57)
71X-RAY DIFFRACTION71chain 'K' and (resseq 58:75)
72X-RAY DIFFRACTION72chain 'K' and (resseq 76:100)
73X-RAY DIFFRACTION73chain 'K' and (resseq 101:110)
74X-RAY DIFFRACTION74chain 'K' and (resseq 111:126)
75X-RAY DIFFRACTION75chain 'L' and (resseq 5:32)
76X-RAY DIFFRACTION76chain 'L' and (resseq 33:128)
77X-RAY DIFFRACTION77chain 'M' and (resseq 2:14)
78X-RAY DIFFRACTION78chain 'M' and (resseq 15:21)
79X-RAY DIFFRACTION79chain 'M' and (resseq 22:61)
80X-RAY DIFFRACTION80chain 'M' and (resseq 62:83)
81X-RAY DIFFRACTION81chain 'M' and (resseq 84:93)
82X-RAY DIFFRACTION82chain 'M' and (resseq 94:119)
83X-RAY DIFFRACTION83chain 'N' and (resseq 2:11)
84X-RAY DIFFRACTION84chain 'N' and (resseq 12:16)
85X-RAY DIFFRACTION85chain 'N' and (resseq 17:24)
86X-RAY DIFFRACTION86chain 'N' and (resseq 25:29)
87X-RAY DIFFRACTION87chain 'N' and (resseq 30:61)
88X-RAY DIFFRACTION88chain 'O' and (resseq 2:15)
89X-RAY DIFFRACTION89chain 'O' and (resseq 16:49)
90X-RAY DIFFRACTION90chain 'O' and (resseq 50:73)
91X-RAY DIFFRACTION91chain 'O' and (resseq 74:88)
92X-RAY DIFFRACTION92chain 'P' and (resseq 1:19)
93X-RAY DIFFRACTION93chain 'P' and (resseq 20:43)
94X-RAY DIFFRACTION94chain 'P' and (resseq 44:52)
95X-RAY DIFFRACTION95chain 'P' and (resseq 53:62)
96X-RAY DIFFRACTION96chain 'P' and (resseq 63:83)
97X-RAY DIFFRACTION97chain 'Q' and (resseq 2:17)
98X-RAY DIFFRACTION98chain 'Q' and (resseq 18:82)
99X-RAY DIFFRACTION99chain 'Q' and (resseq 83:100)
100X-RAY DIFFRACTION100chain 'R' and (resseq 19:23)
101X-RAY DIFFRACTION101chain 'R' and (resseq 24:28)
102X-RAY DIFFRACTION102chain 'R' and (resseq 29:36)
103X-RAY DIFFRACTION103chain 'R' and (resseq 37:43)
104X-RAY DIFFRACTION104chain 'R' and (resseq 44:52)
105X-RAY DIFFRACTION105chain 'R' and (resseq 53:76)
106X-RAY DIFFRACTION106chain 'R' and (resseq 77:88)
107X-RAY DIFFRACTION107chain 'S' and (resseq 2:12)
108X-RAY DIFFRACTION108chain 'S' and (resseq 13:25)
109X-RAY DIFFRACTION109chain 'S' and (resseq 26:35)
110X-RAY DIFFRACTION110chain 'S' and (resseq 36:40)
111X-RAY DIFFRACTION111chain 'S' and (resseq 41:70)
112X-RAY DIFFRACTION112chain 'S' and (resseq 71:81)
113X-RAY DIFFRACTION113chain 'T' and (resseq 8:66)
114X-RAY DIFFRACTION114chain 'T' and (resseq 67:75)
115X-RAY DIFFRACTION115chain 'T' and (resseq 76:91)
116X-RAY DIFFRACTION116chain 'T' and (resseq 92:106)
117X-RAY DIFFRACTION117chain 'U' and (resseq 2:8)
118X-RAY DIFFRACTION118chain 'U' and (resseq 9:15)
119X-RAY DIFFRACTION119chain 'U' and (resseq 16:25)

+
万見について

-
お知らせ

-
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

-
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

+
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

+
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

+
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。

-
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