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- PDB-4zbf: Mcl-1 complexed with small molecules -

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基本情報

登録情報
データベース: PDB / ID: 4zbf
タイトルMcl-1 complexed with small molecules
要素Induced myeloid leukemia cell differentiation protein Mcl-1
キーワードapoptosis/apoptosis inhibitor / Inhibitor / Complex / apoptosis-apoptosis inhibitor complex
機能・相同性
機能・相同性情報


positive regulation of oxidative stress-induced neuron intrinsic apoptotic signaling pathway / cellular homeostasis / cell fate determination / channel activity / mitochondrial fusion / Bcl-2 family protein complex / BH3 domain binding / negative regulation of anoikis / negative regulation of extrinsic apoptotic signaling pathway in absence of ligand / protein transmembrane transporter activity ...positive regulation of oxidative stress-induced neuron intrinsic apoptotic signaling pathway / cellular homeostasis / cell fate determination / channel activity / mitochondrial fusion / Bcl-2 family protein complex / BH3 domain binding / negative regulation of anoikis / negative regulation of extrinsic apoptotic signaling pathway in absence of ligand / protein transmembrane transporter activity / extrinsic apoptotic signaling pathway in absence of ligand / negative regulation of autophagy / release of cytochrome c from mitochondria / response to cytokine / intrinsic apoptotic signaling pathway in response to DNA damage / Signaling by ALK fusions and activated point mutants / regulation of apoptotic process / Interleukin-4 and Interleukin-13 signaling / mitochondrial outer membrane / positive regulation of apoptotic process / protein heterodimerization activity / DNA damage response / negative regulation of apoptotic process / protein homodimerization activity / mitochondrion / nucleoplasm / membrane / nucleus / cytoplasm / cytosol
類似検索 - 分子機能
Apoptosis regulator, Mcl-1 / Blc2-like / Apoptosis Regulator Bcl-x / Apoptosis regulator, Bcl-2, BH3 motif, conserved site / Apoptosis regulator, Bcl-2 family BH3 motif signature. / Apoptosis regulator, Bcl-2, BH1 motif, conserved site / Apoptosis regulator, Bcl-2 family BH1 motif signature. / Apoptosis regulator, Bcl-2, BH2 motif, conserved site / Apoptosis regulator, Bcl-2 family BH2 motif signature. / BCL (B-Cell lymphoma); contains BH1, BH2 regions ...Apoptosis regulator, Mcl-1 / Blc2-like / Apoptosis Regulator Bcl-x / Apoptosis regulator, Bcl-2, BH3 motif, conserved site / Apoptosis regulator, Bcl-2 family BH3 motif signature. / Apoptosis regulator, Bcl-2, BH1 motif, conserved site / Apoptosis regulator, Bcl-2 family BH1 motif signature. / Apoptosis regulator, Bcl-2, BH2 motif, conserved site / Apoptosis regulator, Bcl-2 family BH2 motif signature. / BCL (B-Cell lymphoma); contains BH1, BH2 regions / Bcl-2 family / Bcl-2, Bcl-2 homology region 1-3 / Bcl2-like / Apoptosis regulator proteins, Bcl-2 family / BCL2-like apoptosis inhibitors family profile. / Bcl-2-like superfamily / Orthogonal Bundle / Mainly Alpha
類似検索 - ドメイン・相同性
Chem-4M7 / Induced myeloid leukemia cell differentiation protein Mcl-1
類似検索 - 構成要素
生物種Homo sapiens (ヒト)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 2.2 Å
データ登録者Zhao, B.
資金援助 米国, 1件
組織認可番号
National Institutes of Health/National Cancer Institute (NIH/NCI)BOA29XS129TO22 米国
引用ジャーナル: J.Med.Chem. / : 2015
タイトル: Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
著者: Burke, J.P. / Bian, Z. / Shaw, S. / Zhao, B. / Goodwin, C.M. / Belmar, J. / Browning, C.F. / Vigil, D. / Friberg, A. / Camper, D.V. / Rossanese, O.W. / Lee, T. / Olejniczak, E.T. / Fesik, S.W.
履歴
登録2015年4月14日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02015年4月29日Provider: repository / タイプ: Initial release
改定 1.12015年5月27日Group: Database references
改定 1.22017年9月20日Group: Author supporting evidence / Database references ...Author supporting evidence / Database references / Derived calculations / Source and taxonomy / Structure summary
カテゴリ: citation / entity_src_gen ...citation / entity_src_gen / pdbx_audit_support / pdbx_struct_assembly / pdbx_struct_oper_list / struct_keywords
Item: _citation.journal_id_CSD / _entity_src_gen.pdbx_alt_source_flag ..._citation.journal_id_CSD / _entity_src_gen.pdbx_alt_source_flag / _pdbx_audit_support.funding_organization / _pdbx_struct_assembly.oligomeric_details / _pdbx_struct_oper_list.symmetry_operation / _struct_keywords.text
改定 1.32019年12月4日Group: Author supporting evidence / カテゴリ: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
改定 1.42024年3月6日Group: Data collection / Database references / カテゴリ: chem_comp_atom / chem_comp_bond / database_2
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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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: Induced myeloid leukemia cell differentiation protein Mcl-1
B: Induced myeloid leukemia cell differentiation protein Mcl-1
C: Induced myeloid leukemia cell differentiation protein Mcl-1
D: Induced myeloid leukemia cell differentiation protein Mcl-1
E: Induced myeloid leukemia cell differentiation protein Mcl-1
F: Induced myeloid leukemia cell differentiation protein Mcl-1
G: Induced myeloid leukemia cell differentiation protein Mcl-1
H: Induced myeloid leukemia cell differentiation protein Mcl-1
I: Induced myeloid leukemia cell differentiation protein Mcl-1
J: Induced myeloid leukemia cell differentiation protein Mcl-1
K: Induced myeloid leukemia cell differentiation protein Mcl-1
L: Induced myeloid leukemia cell differentiation protein Mcl-1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)219,40624
ポリマ-214,20312
非ポリマー5,20212
6,251347
1
A: Induced myeloid leukemia cell differentiation protein Mcl-1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)18,2842
ポリマ-17,8501
非ポリマー4341
181
タイプ名称対称操作
identity operation1_555x,y,z1
手法PISA
2
B: Induced myeloid leukemia cell differentiation protein Mcl-1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)18,2842
ポリマ-17,8501
非ポリマー4341
181
タイプ名称対称操作
identity operation1_555x,y,z1
手法PISA
3
C: Induced myeloid leukemia cell differentiation protein Mcl-1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)18,2842
ポリマ-17,8501
非ポリマー4341
181
タイプ名称対称操作
identity operation1_555x,y,z1
手法PISA
4
D: Induced myeloid leukemia cell differentiation protein Mcl-1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)18,2842
ポリマ-17,8501
非ポリマー4341
181
タイプ名称対称操作
identity operation1_555x,y,z1
手法PISA
5
E: Induced myeloid leukemia cell differentiation protein Mcl-1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)18,2842
ポリマ-17,8501
非ポリマー4341
181
タイプ名称対称操作
identity operation1_555x,y,z1
手法PISA
6
E: Induced myeloid leukemia cell differentiation protein Mcl-1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)18,2842
ポリマ-17,8501
非ポリマー4341
181
タイプ名称対称操作
identity operation1_555x,y,z1
手法PISA
7
F: Induced myeloid leukemia cell differentiation protein Mcl-1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)18,2842
ポリマ-17,8501
非ポリマー4341
181
タイプ名称対称操作
identity operation1_555x,y,z1
手法PISA
8
G: Induced myeloid leukemia cell differentiation protein Mcl-1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)18,2842
ポリマ-17,8501
非ポリマー4341
181
タイプ名称対称操作
identity operation1_555x,y,z1
手法PISA
9
H: Induced myeloid leukemia cell differentiation protein Mcl-1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)18,2842
ポリマ-17,8501
非ポリマー4341
181
タイプ名称対称操作
identity operation1_555x,y,z1
手法PISA
10
I: Induced myeloid leukemia cell differentiation protein Mcl-1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)18,2842
ポリマ-17,8501
非ポリマー4341
181
タイプ名称対称操作
identity operation1_555x,y,z1
手法PISA
11
J: Induced myeloid leukemia cell differentiation protein Mcl-1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)18,2842
ポリマ-17,8501
非ポリマー4341
181
タイプ名称対称操作
identity operation1_555x,y,z1
手法PISA
12
K: Induced myeloid leukemia cell differentiation protein Mcl-1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)18,2842
ポリマ-17,8501
非ポリマー4341
181
タイプ名称対称操作
identity operation1_555x,y,z1
手法PISA
13
L: Induced myeloid leukemia cell differentiation protein Mcl-1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)18,2842
ポリマ-17,8501
非ポリマー4341
181
タイプ名称対称操作
identity operation1_555x,y,z1
手法PISA
単位格子
Length a, b, c (Å)62.722, 134.405, 135.332
Angle α, β, γ (deg.)90.00, 100.27, 90.00
Int Tables number4
Space group name H-MP1211

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要素

#1: タンパク質
Induced myeloid leukemia cell differentiation protein Mcl-1 / Bcl-2-like protein 3 / Bcl2-L-3 / Bcl-2-related protein EAT/mcl1 / mcl1/EAT


分子量: 17850.281 Da / 分子数: 12 / 断片: unp residues 172-327 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: MCL1, BCL2L3 / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: Q07820
#2: 化合物
ChemComp-4M7 / (1R)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2H-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide


分子量: 433.519 Da / 分子数: 12 / 由来タイプ: 合成 / : C25H23NO4S
#3: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 347 / 由来タイプ: 天然 / : H2O

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実験情報

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実験

実験手法: X線回折

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試料調製

結晶マシュー密度: 2.62 Å3/Da / 溶媒含有率: 53.06 %
結晶化温度: 291 K / 手法: 蒸発脱水法 / 詳細: PEG 3350, magnesium chloride, Bis-Tris / PH範囲: 6.0 - 8.0

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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: APS / ビームライン: 21-ID-G / 波長: 0.97856 Å
検出器タイプ: MARMOSAIC 300 mm CCD / 検出器: CCD / 日付: 2012年8月10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: 0.97856 Å / 相対比: 1
反射解像度: 2.2→50 Å / Num. obs: 108388 / % possible obs: 96.6 % / 冗長度: 3.6 % / Rmerge(I) obs: 0.049 / Rsym value: 0.041 / Net I/av σ(I): 25.6 / Net I/σ(I): 29.8
反射 シェル解像度: 2.2→2.24 Å / 冗長度: 2.6 % / Rmerge(I) obs: 0.35 / Mean I/σ(I) obs: 2.1 / % possible all: 91.9

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解析

ソフトウェア
名称バージョン分類
PHENIXdev_1951精密化
HKL-2000データ削減
HKL-2000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 / 解像度: 2.2→29.998 Å / SU ML: 0.29 / 交差検証法: THROUGHOUT / σ(F): 1.41 / 位相誤差: 23.97 / 立体化学のターゲット値: ML
Rfactor反射数%反射
Rfree0.2316 2017 1.87 %
Rwork0.1827 --
obs0.1836 107925 96.6 %
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: 2.2→29.998 Å
タンパク質核酸リガンド溶媒全体
原子数14470 0 372 347 15189
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.00915127
X-RAY DIFFRACTIONf_angle_d1.33320375
X-RAY DIFFRACTIONf_dihedral_angle_d17.5645637
X-RAY DIFFRACTIONf_chiral_restr0.0662217
X-RAY DIFFRACTIONf_plane_restr0.0082566
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.2-2.2550.3371530.28197175X-RAY DIFFRACTION92
2.255-2.3160.30291360.25727253X-RAY DIFFRACTION93
2.316-2.38410.29261400.23697356X-RAY DIFFRACTION94
2.3841-2.4610.2771390.22467328X-RAY DIFFRACTION94
2.461-2.54890.28121430.22257443X-RAY DIFFRACTION95
2.5489-2.65090.2981340.21247544X-RAY DIFFRACTION96
2.6509-2.77150.2511400.21237501X-RAY DIFFRACTION96
2.7715-2.91750.26451410.21527638X-RAY DIFFRACTION97
2.9175-3.10010.27811510.21647683X-RAY DIFFRACTION98
3.1001-3.33920.25151410.20057707X-RAY DIFFRACTION99
3.3392-3.67470.24571530.1957789X-RAY DIFFRACTION99
3.6747-4.20520.2021460.15767814X-RAY DIFFRACTION99
4.2052-5.29330.19761510.14297824X-RAY DIFFRACTION100
5.2933-30.00040.17311490.14237853X-RAY DIFFRACTION99
精密化 TLS

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

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
12.51951.09640.77262.03771.01141.7011-0.1013-0.0237-0.12820.11410.2459-0.3064-0.12820.1619-0.03530.35290.01470.00350.3302-0.05580.2891-26.397711.1773-9.0341
20.8857-0.4103-0.24571.88830.89291.79890.02920.05060.1692-0.05210.0981-0.557-0.15360.3292-0.03610.3827-0.04270.04620.4245-0.07130.4335-21.640616.8818-13.862
32.75960.7724-1.57934.8337-2.15936.0255-0.0887-0.44580.51540.73910.2731-0.4769-0.69050.11410.01290.5139-0.11610.03240.5452-0.14420.3815-23.421228.44145.543
43.0508-0.48220.92041.8554-0.37691.75950.1274-0.44680.08710.0864-0.1285-0.22990.37390.063-0.03260.58650.0446-0.06960.4423-0.070.3411-29.736416.8198.2168
52.05930.88110.43542.133-0.12282.7957-0.0073-0.1923-0.06270.27630.0971-0.1084-0.12070.2166-0.00570.38410.0110.00180.3425-0.09910.3008-27.166117.9313-0.981
63.02040.3717-0.17512.7287-0.23741.572-0.10410.46560.126-0.47030.1344-0.0541-0.2742-0.1391-0.02540.43010.0340.00930.3196-0.03840.3196-35.478420.3784-16.5885
71.5143-0.28010.21642.8122-1.1192.09210.20320.2596-0.2268-0.3339-0.38950.1570.1068-0.0485-0.05720.3311-0.02210.00560.4017-0.09680.2955-21.5593-3.5142-38.3569
80.17560.3081-0.42840.5225-0.60751.3777-0.35160.00360.17190.2406-0.02420.34340.29020.0733-0.07880.7959-0.0092-0.17450.6603-0.07950.5976-29.7781-7.2597-40.9442
92.22670.6027-0.17593.9722-0.43782.2161-0.19260.00660.2713-0.12260.3160.5755-0.3789-0.6368-0.07630.34940.0079-0.01790.4985-0.11020.363-28.70625.4311-34.8719
106.8185-2.2594-2.66644.04591.98781.83320.41470.36580.711-0.4114-0.31210.0773-0.94880.0565-0.05840.5932-0.00910.01450.3923-0.00450.454-14.529417.409-44.4096
111.3374-0.1730.05911.3040.394.427-0.07730.2606-0.0014-0.3362-0.0744-0.3419-0.20790.375-0.0280.4563-0.09750.11660.3956-0.03130.394-7.25796.2426-44.9448
122.0043-0.4674-0.6421.8736-0.55923.33590.07980.17610.0978-0.3128-0.0387-0.1653-0.1950.2216-0.0040.3475-0.05290.03050.3323-0.06150.2908-15.46184.2114-38.3094
133.8015-1.343-0.01942.75270.69061.1713-0.1247-0.86620.08140.2238-0.05940.32340.0887-0.0267-0.00910.2915-0.01490.02170.4161-0.0930.3226-25.67672.4754-24.749
141.35980.51680.6572.68651.55832.79150.07160.02210.2096-0.0191-0.1980.2515-0.2375-0.61750.09270.37530.1202-0.05180.3958-0.06540.3686-6.866814.3056-68.9731
150.0090.047-0.01290.32340.00910.0116-0.19360.10540.2632-0.1728-0.11150.8245-0.5974-0.07810.04360.53790.2072-0.03940.9594-0.09390.7982-16.964514.2795-72.6039
161.04620.366-0.08371.3415-0.61682.1457-0.12870.27450.0282-0.4656-0.0590.01220.055-0.4627-0.0140.38110.0436-0.03980.4121-0.01440.3428-2.49637.5562-80.3489
170.9051-0.53670.9682.24410.62912.1302-0.0846-0.09-0.1971-0.0067-0.1415-0.15330.0765-0.2308-0.00670.34140.0090.04850.3272-0.00740.35891.30682.6561-71.3664
183.0192.5912-0.26745.0716-0.26631.860.2404-0.28360.1520.4148-0.29030.1145-0.3859-0.2688-0.00350.38290.0316-0.02230.3178-0.0180.34781.395811.9038-66.7459
190.9174-0.2771.44390.085-0.53213.3906-0.31310.08940.5196-0.12680.05190.264-1.2903-0.2048-0.00930.72320.0006-0.09650.33120.03450.47690.616923.0995-79.7957
203.16832.01260.01012.9729-0.08571.09440.3742-0.6172-0.56330.4926-0.2571-0.60340.27180.1184-0.02960.323-0.0095-0.13810.3318-0.00080.54-40.9896-19.6376-58.7661
211.1592-0.54710.4961.6377-0.07271.78670.3377-0.2104-0.35920.79880.0688-1.18610.260.52320.06840.43470.0741-0.20190.5745-0.1230.8499-31.9146-19.9025-62.1703
225.6344-0.795-2.81824.11070.89154.38760.21350.39630.5001-0.3918-0.1117-0.4131-0.81880.7297-0.12210.4664-0.11080.00840.40540.02850.7307-37.13480.4833-68.2802
232.5165-0.58640.46812.0237-0.72140.61320.0106-0.05470.2936-0.05080.0902-0.4083-0.313-0.02310.01390.273-0.03730.00980.3218-0.03880.4645-43.8827-6.8216-65.1849
242.14292.04691.61984.42982.91154.26910.2742-0.68160.04790.5939-0.61050.04450.3499-0.6023-0.00480.34280.0091-0.04180.347-0.04850.4481-45.614-10.7703-58.2664
252.91010.7953-0.23841.4789-0.16731.90090.15030.4995-0.7929-0.0198-0.0925-0.36710.33860.15940.00730.25420.0176-0.04790.4222-0.15750.6034-41.6371-25.0175-72.7307
261.24260.603-0.43083.4181-1.41942.45860.1435-0.43070.06210.6048-0.10910.3841-0.1953-0.3852-0.07490.4237-0.03160.07050.5524-0.08230.3449-53.83215.07542.1901
270.80420.50640.14282.858-0.37560.5143-0.1954-0.48430.57260.3886-0.3510.3609-0.2216-0.37430.00620.79480.11050.31830.6087-0.04190.7911-61.81059.54613.485
282.1061-0.62480.35334.5508-0.47881.67370.0149-0.2445-0.29090.27270.18680.65810.1069-1.0516-0.10850.4294-0.0980.1050.7036-0.10330.4901-60.7837-3.5796-1.5982
291.9348-0.1379-0.33571.7163-0.21232.28640.0974-0.6417-0.30090.2637-0.03690.30770.29-0.03830.02030.63620.01810.0070.51740.04050.3799-42.8243-8.9998.6997
301.9860.16990.87771.5326-0.51333.12130.02-0.517-0.16590.45650.21210.14960.0409-0.061200.5-0.0320.05710.47070.00980.3225-48.0482-3.35354.5972
315.8910.1451-1.01877.6759-0.01063.9393-0.04150.3564-0.2001-0.1291-0.01930.3198-0.0094-0.4439-0.02530.3275-0.01190.02970.4552-0.06220.2884-46.60261.4518-13.0445
321.59720.25250.34291.95890.39031.7519-0.16170.2782-0.0180.03750.34330.25720.0314-0.28710.02080.3499-0.0516-0.00870.4673-0.05060.3542-58.6309-1.4387-10.7561
337.81860.4016-0.06071.26690.23570.8720.07210.40520.2805-0.067-0.46750.38820.1446-0.3501-0.0540.25620.02820.02330.443-0.16780.4124-8.0503-22.8953-68.9493
342.2-0.81520.48022.1280.87581.47590.33330.53980.2461-0.2398-0.4010.68550.3282-0.567-0.05460.3607-0.04830.02710.7333-0.32750.6443-14.4853-29.6613-70.4284
352.96121.2870.22542.6420.91691.41360.0922-0.2753-0.27740.4736-0.07770.51640.2339-0.37290.72940.3702-0.49851.33260.866-0.4501-0.2795-17.0303-27.0762-48.7795
363.4245-1.76410.65044.0293-0.12191.6572-0.2553-0.30980.51880.19860.05520.15530.012-0.14440.02630.5012-0.09830.08490.4152-0.18430.3906-7.2148-18.0634-51.0943
371.0584-0.3315-0.68342.54960.23541.14530.1677-0.33710.08780.7073-0.46580.28190.7204-0.58080.02190.2469-0.18770.18360.5273-0.28480.5053-11.7775-26.3478-57.169
384.176-1.9925-1.05223.74231.24681.6540.1684-0.15170.4510.2111-0.1741-0.48810.0781-0.1561-0.02810.3064-0.06950.02070.3571-0.1160.3773-2.2608-23.5574-61.6725
393.04910.4122-0.47111.453-1.24881.08330.38060.9212-0.85150.1268-0.34730.03840.7443-0.1601-0.01230.4343-0.08730.05990.5239-0.26040.5608-4.568-38.1058-69.8551
403.0169-1.1958-0.91872.26570.97162.11520.05530.11540.0474-0.08180.132-0.29480.01670.5221-0.05310.2979-0.06260.00680.4155-0.0680.34465.679-10.5677-27.1734
411.57170.30160.26591.65070.43372.16390.1278-0.2178-0.3559-0.08930.0769-0.40870.4060.5636-0.04310.45890.07-0.0840.5059-0.06970.48738.9654-16.2735-21.7012
422.3791-0.45660.08953.3024-0.45452.82530.12040.5126-0.1169-0.16240.1623-0.4040.37080.78130.06140.5129-0.01630.09210.6337-0.21450.42167.3512-21.3947-43.8556
431.2183-0.2149-2.07653.1643-0.97414.1523-0.57660.5625-0.01090.05960.1614-0.0960.3451-1.06150.02330.4392-0.14410.08890.3931-0.11420.3864-4.9235-19.4565-41.0076
442.6376-0.4977-0.20691.8945-0.27343.3321-0.05730.4196-0.1718-0.2310.2084-0.20710.23530.37780.00820.3521-0.05790.0570.4105-0.12280.3734.2806-17.3998-34.9921
452.9139-0.93210.70782.297-0.11811.5103-0.0255-0.5216-0.35130.50690.16070.09990.2812-0.083-0.04450.4416-0.09690.00120.35110.02050.3478-4.995-18.7154-20.2628
465.70870.37171.39351.25240.16851.48370.18770.7949-0.3834-0.32070.0407-0.1592-0.00970.369-0.01750.5225-0.00230.06940.39450.01840.3644-22.2864-41.937-32.6769
470.2950.18280.09870.23350.14020.0565-0.10130.6703-0.014-0.1864-0.0898-0.1160.3329-0.5785-0.01380.8787-0.05250.13021.4215-0.18760.6206-17.4617-42.2409-40.4601
483.8884-0.99080.43832.292-0.79142.69850.75931.16450.9578-0.126-0.7016-0.6735-0.13060.76510.00550.6966-0.10330.30040.54010.17830.544-17.8673-31.3139-31.2038
493.24720.93160.30044.12840.24562.6284-0.0891-0.5729-0.62130.07170.2639-0.38990.05870.5851-0.07020.5752-0.0235-0.02080.55170.06130.4406-17.2276-44.011-13.3751
500.94220.30450.15141.7843-0.12421.80540.1513-0.0818-0.05630.3016-0.0829-0.1364-0.26850.1735-0.01430.5062-0.06480.00850.30550.02070.3187-23.1131-38.2964-19.0421
518.0972-4.42631.53954.7581-0.16032.04380.2896-0.0533-0.822-0.1659-0.07230.08490.32020.03730.01790.5258-0.0039-0.00010.31980.05060.3828-22.9695-46.8378-24.3749
522.76460.4188-0.2442.2678-0.17672.38880.2420.69040.4345-0.6218-0.20970.1501-0.9468-0.5104-0.03660.78840.09820.11730.2810.11520.3431-31.1213-29.7116-31.6466
531.81840.8392-0.39733.7638-0.77831.65420.4134-0.0059-0.13080.7578-0.51750.7064-0.2697-1.0388-0.01130.46230.02250.07850.6979-0.1360.5534-51.3036-49.7048-25.3579
541.14670.3510.92531.02640.38691.0426-0.46790.00730.12970.21980.02750.4645-0.0512-0.31030.01830.664-0.07410.26461.1042-0.25121.2112-59.1866-47.8094-20.9023
551.5536-0.1296-0.00452.0603-0.73781.29560.0839-0.1111-0.00760.0374-0.21620.55460.3334-0.58970.00660.4837-0.0307-0.05230.5857-0.12160.5377-48.8442-60.8633-32.2389
561.59010.18790.02432.8227-0.28071.84720.0405-0.2809-0.30170.4885-0.18760.25210.0338-0.23430.00060.4497-0.0045-0.0030.5574-0.03680.4966-48.0956-59.3581-27.3238
571.65320.94540.54221.7980.46151.3840.08710.01310.3952-0.3534-0.27690.912-0.2535-0.51960.03760.46810.1694-0.14760.6051-0.11750.5372-51.0173-44.9103-39.2911
582.1038-0.7693-0.90512.49951.32782.5583-0.23760.2333-0.8027-0.0575-0.24090.69110.5311-0.64360.12490.546-0.06770.0610.4084-0.07790.7006-19.6189-14.5223-101.3572
590.04570.29560.14333.1850.73620.5735-0.50480.2522-0.2991-0.3988-0.0530.24821.2715-0.05990.10510.5666-0.14050.05790.8953-0.27881.2611-28.7422-16.8603-100.4401
601.9946-0.18020.60911.7478-0.52560.9516-0.6381-1.1075-1.06730.49330.04811.30080.2245-0.892-0.13290.86850.07430.31780.6780.16590.9444-20.9909-15.4503-89.2172
613.45440.2646-0.58332.82190.59494.0825-0.5262-1.39690.59620.83420.6128-0.4317-0.34940.3606-0.0480.57650.163-0.10890.6889-0.27290.449-12.7732.8967-88.2383
623.2314-0.76070.06122.7566-0.23681.97150.1896-0.05210.3955-0.5769-0.03040.16610.288-0.1483-0.01860.4044-0.0003-0.08070.47880.00320.4245-9.71291.3523-101.2277
631.6565-0.98610.03192.5077-0.28071.792-0.4472-0.12770.11530.58680.04730.15350.4310.2608-0.0130.45860.093-0.04720.5334-0.01380.3407-12.9801-6.8848-92.7097
643.9732-3.21130.42295.6798-0.0991.88030.28440.50990.0173-1.1343-0.38040.28190.1818-0.5803-0.01470.52580.0286-0.07510.4648-0.04610.4387-16.1035-5.1612-103.0342
653.08430.39450.62573.2640.05622.2965-0.0362-0.3728-0.5960.1741-0.4295-0.3720.62340.0056-0.04930.83760.23810.11760.51210.06690.4653-5.2332-22.2458-98.0408
660.7079-0.37860.59350.70020.2121.589-0.2093-0.127-0.9722-0.0155-0.08560.45070.79330.03480.02920.86340.16780.21210.66670.18590.7726-14.6605-23.4756-90.0388
671.8477-0.22050.26911.92430.15073.2506-0.1131-0.3909-0.1813-0.0448-0.0804-0.2520.0840.6854-0.01430.3216-0.06630.00240.53310.18820.4423-45.395318.2035-49.6945
680.0706-0.08170.1670.2783-0.4170.6797-0.1892-0.25630.0520.3092-0.0059-0.4053-0.21880.29280.02330.4550.05210.01931.15660.21860.9506-36.086419.6036-50.1364
691.70650.0044-0.85371.5561-0.07942.9331-0.0454-0.60090.46440.7069-0.1669-0.2531-0.38660.4031-0.05380.567-0.2459-0.10090.79870.0610.5634-44.242827.3316-42.1154
700.9126-1.11950.6074.28371.34122.6262-0.1934-0.5820.11131.259-0.42430.4043-0.4167-0.02840.02070.869-0.3132-0.01651.11370.18870.5943-56.816816.7003-30.2084
711.8374-0.00991.71651.6821-1.49352.91210.45660.2678-0.8044-0.19150.1414-0.1960.57570.3213-0.02030.51740.04460.02080.62020.23561.0084-55.52733.9463-39.6771
721.58470.7813-0.47292.5864-0.49531.63940.08510.2468-0.2247-0.0413-0.6937-0.2652-0.09930.1405-0.00740.3548-0.03120.08950.45730.01730.5067-63.709515.4344-43.4334
731.6159-0.11360.05212.08180.11421.5888-0.061-0.8053-0.50470.5643-0.04210.1854-0.4620.2304-0.02260.4532-0.10810.01310.62570.13610.4368-54.149220.1305-40.0136
740.21210.2967-0.44511.8358-0.67832.65150.4193-0.4207-0.8619-0.5816-0.6374-0.03060.82530.7662-0.02760.34310.00550.00290.66550.32350.6685-51.50111.228-46.0694
751.4724-0.2788-0.03181.44440.25022.11410.2809-0.35020.366-0.3381-0.27920.1577-0.81020.15170.02870.5389-0.12560.00860.3516-0.00050.446-53.00431.0161-51.9191
760.8354-0.0246-0.88481.0013-0.30434.2138-0.1904-0.5504-0.35220.0699-0.1268-0.26560.02591.038-0.01420.67540.09560.05360.4950.02690.4618-17.1055-18.575116.2643
771.1841-0.16410.55860.7330.18530.5192-0.4574-0.5132-0.34360.94150.4149-0.33110.18330.47040.0990.88890.2132-0.06561.28630.12730.7208-7.5691-19.397616.4485
781.7575-0.1772-0.91412.815-0.46761.7992-0.23990.1565-0.4984-0.1081-0.1199-0.62210.15490.3816-0.02150.75110.11280.10530.52110.00950.6246-15.1332-27.41738.1997
792.9303-0.88110.17654.03210.98742.9620.20881.06740.0052-0.6438-0.2979-0.377-0.02550.2115-0.03730.82190.06180.02510.8714-0.01020.377-25.7716-15.4716-4.7732
802.95550.2356-0.48352.80620.05982.40930.19410.22450.32920.02180.0082-0.36170.04990.3717-0.00760.61860.0615-0.02970.45250.01870.4108-28.8458-8.16346.0557
811.8004-0.3112-0.69752.5508-0.53612.23280.11190.43570.1626-0.164-0.19820.15520.18340.0029-0.01380.67930.06550.04570.4611-0.02320.4249-23.2772-17.6964.7781
823.04780.9462-0.95774.1986-1.45782.84970.0104-0.26280.03880.6311-0.16450.085-0.06830.1502-0.04710.61860.05970.02320.4066-0.01830.4464-25.8239-17.057215.2509
832.44951.67670.691.41630.14575.3958-0.6647-0.6317-0.88380.4656-0.09140.14720.90610.57060.00630.9620.13940.17360.38930.12680.5661-21.5742-33.38114.7088
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 171 through 190 )
2X-RAY DIFFRACTION2chain 'A' and (resid 191 through 223 )
3X-RAY DIFFRACTION3chain 'A' and (resid 224 through 235 )
4X-RAY DIFFRACTION4chain 'A' and (resid 236 through 254 )
5X-RAY DIFFRACTION5chain 'A' and (resid 255 through 301 )
6X-RAY DIFFRACTION6chain 'A' and (resid 302 through 323 )
7X-RAY DIFFRACTION7chain 'B' and (resid 171 through 190 )
8X-RAY DIFFRACTION8chain 'B' and (resid 191 through 202 )
9X-RAY DIFFRACTION9chain 'B' and (resid 203 through 223 )
10X-RAY DIFFRACTION10chain 'B' and (resid 224 through 235 )
11X-RAY DIFFRACTION11chain 'B' and (resid 236 through 254 )
12X-RAY DIFFRACTION12chain 'B' and (resid 255 through 308 )
13X-RAY DIFFRACTION13chain 'B' and (resid 309 through 321 )
14X-RAY DIFFRACTION14chain 'C' and (resid 171 through 190 )
15X-RAY DIFFRACTION15chain 'C' and (resid 191 through 203 )
16X-RAY DIFFRACTION16chain 'C' and (resid 204 through 235 )
17X-RAY DIFFRACTION17chain 'C' and (resid 236 through 283 )
18X-RAY DIFFRACTION18chain 'C' and (resid 284 through 308 )
19X-RAY DIFFRACTION19chain 'C' and (resid 309 through 322 )
20X-RAY DIFFRACTION20chain 'D' and (resid 171 through 191 )
21X-RAY DIFFRACTION21chain 'D' and (resid 192 through 223 )
22X-RAY DIFFRACTION22chain 'D' and (resid 224 through 235 )
23X-RAY DIFFRACTION23chain 'D' and (resid 236 through 280 )
24X-RAY DIFFRACTION24chain 'D' and (resid 281 through 301 )
25X-RAY DIFFRACTION25chain 'D' and (resid 302 through 321 )
26X-RAY DIFFRACTION26chain 'E' and (resid 171 through 191 )
27X-RAY DIFFRACTION27chain 'E' and (resid 192 through 202 )
28X-RAY DIFFRACTION28chain 'E' and (resid 203 through 223 )
29X-RAY DIFFRACTION29chain 'E' and (resid 224 through 254 )
30X-RAY DIFFRACTION30chain 'E' and (resid 255 through 301 )
31X-RAY DIFFRACTION31chain 'E' and (resid 302 through 310 )
32X-RAY DIFFRACTION32chain 'E' and (resid 311 through 321 )
33X-RAY DIFFRACTION33chain 'F' and (resid 171 through 191 )
34X-RAY DIFFRACTION34chain 'F' and (resid 192 through 223 )
35X-RAY DIFFRACTION35chain 'F' and (resid 224 through 235 )
36X-RAY DIFFRACTION36chain 'F' and (resid 236 through 254 )
37X-RAY DIFFRACTION37chain 'F' and (resid 255 through 283 )
38X-RAY DIFFRACTION38chain 'F' and (resid 284 through 308 )
39X-RAY DIFFRACTION39chain 'F' and (resid 309 through 321 )
40X-RAY DIFFRACTION40chain 'G' and (resid 171 through 191 )
41X-RAY DIFFRACTION41chain 'G' and (resid 192 through 223 )
42X-RAY DIFFRACTION42chain 'G' and (resid 224 through 246 )
43X-RAY DIFFRACTION43chain 'G' and (resid 247 through 254 )
44X-RAY DIFFRACTION44chain 'G' and (resid 255 through 301 )
45X-RAY DIFFRACTION45chain 'G' and (resid 302 through 321 )
46X-RAY DIFFRACTION46chain 'H' and (resid 171 through 191 )
47X-RAY DIFFRACTION47chain 'H' and (resid 192 through 202 )
48X-RAY DIFFRACTION48chain 'H' and (resid 203 through 223 )
49X-RAY DIFFRACTION49chain 'H' and (resid 224 through 246 )
50X-RAY DIFFRACTION50chain 'H' and (resid 247 through 281 )
51X-RAY DIFFRACTION51chain 'H' and (resid 282 through 301 )
52X-RAY DIFFRACTION52chain 'H' and (resid 302 through 321 )
53X-RAY DIFFRACTION53chain 'I' and (resid 171 through 190 )
54X-RAY DIFFRACTION54chain 'I' and (resid 191 through 202 )
55X-RAY DIFFRACTION55chain 'I' and (resid 203 through 260 )
56X-RAY DIFFRACTION56chain 'I' and (resid 261 through 301 )
57X-RAY DIFFRACTION57chain 'I' and (resid 302 through 321 )
58X-RAY DIFFRACTION58chain 'J' and (resid 171 through 190 )
59X-RAY DIFFRACTION59chain 'J' and (resid 191 through 203 )
60X-RAY DIFFRACTION60chain 'J' and (resid 204 through 223 )
61X-RAY DIFFRACTION61chain 'J' and (resid 224 through 235 )
62X-RAY DIFFRACTION62chain 'J' and (resid 236 through 254 )
63X-RAY DIFFRACTION63chain 'J' and (resid 255 through 280 )
64X-RAY DIFFRACTION64chain 'J' and (resid 281 through 301 )
65X-RAY DIFFRACTION65chain 'J' and (resid 302 through 310 )
66X-RAY DIFFRACTION66chain 'J' and (resid 311 through 321 )
67X-RAY DIFFRACTION67chain 'K' and (resid 171 through 191 )
68X-RAY DIFFRACTION68chain 'K' and (resid 192 through 202 )
69X-RAY DIFFRACTION69chain 'K' and (resid 203 through 223 )
70X-RAY DIFFRACTION70chain 'K' and (resid 224 through 235 )
71X-RAY DIFFRACTION71chain 'K' and (resid 236 through 246 )
72X-RAY DIFFRACTION72chain 'K' and (resid 247 through 254 )
73X-RAY DIFFRACTION73chain 'K' and (resid 255 through 280 )
74X-RAY DIFFRACTION74chain 'K' and (resid 281 through 301 )
75X-RAY DIFFRACTION75chain 'K' and (resid 302 through 321 )
76X-RAY DIFFRACTION76chain 'L' and (resid 171 through 190 )
77X-RAY DIFFRACTION77chain 'L' and (resid 191 through 202 )
78X-RAY DIFFRACTION78chain 'L' and (resid 203 through 223 )
79X-RAY DIFFRACTION79chain 'L' and (resid 224 through 235 )
80X-RAY DIFFRACTION80chain 'L' and (resid 236 through 254 )
81X-RAY DIFFRACTION81chain 'L' and (resid 255 through 283 )
82X-RAY DIFFRACTION82chain 'L' and (resid 284 through 308 )
83X-RAY DIFFRACTION83chain 'L' and (resid 309 through 321 )

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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

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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

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