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- PDB-6x27: Lon protease proteolytic domain complexed with bortezomib -

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基本情報

登録情報
データベース: PDB / ID: 6x27
タイトルLon protease proteolytic domain complexed with bortezomib
要素Lon protease homolog, mitochondrial
キーワードHYDROLASE/HYDROLASE inhibitor / covalent inhibitor / proteolytic domain / HYDROLASE / HYDROLASE-HYDROLASE inhibitor complex
機能・相同性
機能・相同性情報


oxidation-dependent protein catabolic process / response to aluminum ion / PH domain binding / mitochondrial protein catabolic process / endopeptidase La / G-quadruplex DNA binding / mitochondrial DNA metabolic process / : / ATP-dependent peptidase activity / protein quality control for misfolded or incompletely synthesized proteins ...oxidation-dependent protein catabolic process / response to aluminum ion / PH domain binding / mitochondrial protein catabolic process / endopeptidase La / G-quadruplex DNA binding / mitochondrial DNA metabolic process / : / ATP-dependent peptidase activity / protein quality control for misfolded or incompletely synthesized proteins / mitochondrial nucleoid / insulin receptor substrate binding / Mitochondrial unfolded protein response (UPRmt) / chaperone-mediated protein complex assembly / response to hormone / DNA polymerase binding / Mitochondrial protein degradation / negative regulation of insulin receptor signaling pathway / proteolysis involved in protein catabolic process / mitochondrion organization / protein catabolic process / ADP binding / single-stranded DNA binding / cellular response to oxidative stress / sequence-specific DNA binding / response to hypoxia / single-stranded RNA binding / mitochondrial matrix / serine-type endopeptidase activity / ATP hydrolysis activity / mitochondrion / nucleoplasm / ATP binding / identical protein binding / membrane / cytosol
類似検索 - 分子機能
Lon protease homologue, chloroplastic/mitochondrial / : / Lon protease, bacterial/eukaryotic-type / Lon protease AAA+ ATPase lid domain / Peptidase S16, active site / ATP-dependent serine proteases, lon family, serine active site. / Lon proteolytic domain profile. / Peptidase S16, Lon proteolytic domain / Lon protease / Lon protease (S16) C-terminal proteolytic domain ...Lon protease homologue, chloroplastic/mitochondrial / : / Lon protease, bacterial/eukaryotic-type / Lon protease AAA+ ATPase lid domain / Peptidase S16, active site / ATP-dependent serine proteases, lon family, serine active site. / Lon proteolytic domain profile. / Peptidase S16, Lon proteolytic domain / Lon protease / Lon protease (S16) C-terminal proteolytic domain / Lon N-terminal domain profile. / Lon protease, N-terminal domain / Lon protease, N-terminal domain superfamily / ATP-dependent protease La (LON) substrate-binding domain / Found in ATP-dependent protease La (LON) / Ribosomal Protein S5; domain 2 - #10 / PUA-like superfamily / Ribosomal Protein S5; domain 2 / ATPase family associated with various cellular activities (AAA) / ATPase, AAA-type, core / Ribosomal protein S5 domain 2-type fold, subgroup / Ribosomal protein S5 domain 2-type fold / ATPases associated with a variety of cellular activities / AAA+ ATPase domain / P-loop containing nucleoside triphosphate hydrolase / 2-Layer Sandwich / Alpha Beta
類似検索 - ドメイン・相同性
Chem-BO2 / Lon protease homolog, mitochondrial
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: 2.12 Å
データ登録者Lee, C.C. / Spraggon, G.
引用ジャーナル: J.Med.Chem. / : 2021
タイトル: Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
著者: Kingsley, L.J. / He, X. / McNeill, M. / Nelson, J. / Nikulin, V. / Ma, Z. / Lu, W. / Zhou, V.W. / Manuia, M. / Kreusch, A. / Gao, M.Y. / Witmer, D. / Vaillancourt, M.T. / Lu, M. / Greenblatt, ...著者: Kingsley, L.J. / He, X. / McNeill, M. / Nelson, J. / Nikulin, V. / Ma, Z. / Lu, W. / Zhou, V.W. / Manuia, M. / Kreusch, A. / Gao, M.Y. / Witmer, D. / Vaillancourt, M.T. / Lu, M. / Greenblatt, S. / Lee, C. / Vashisht, A. / Bender, S. / Spraggon, G. / Michellys, P.Y. / Jia, Y. / Haling, J.R. / Lelais, G.
履歴
登録2020年5月20日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02021年4月14日Provider: repository / タイプ: Initial release
改定 1.12021年4月21日Group: Database references / カテゴリ: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
改定 1.22021年5月5日Group: Database references / カテゴリ: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
改定 1.32023年10月18日Group: Data collection / Database references / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
改定 1.42024年10月23日Group: Structure summary
カテゴリ: pdbx_entry_details / pdbx_modification_feature
Item: _pdbx_entry_details.has_protein_modification

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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: Lon protease homolog, mitochondrial
B: Lon protease homolog, mitochondrial
C: Lon protease homolog, mitochondrial
D: Lon protease homolog, mitochondrial
E: Lon protease homolog, mitochondrial
F: Lon protease homolog, mitochondrial
G: Lon protease homolog, mitochondrial
H: Lon protease homolog, mitochondrial
I: Lon protease homolog, mitochondrial
J: Lon protease homolog, mitochondrial
K: Lon protease homolog, mitochondrial
L: Lon protease homolog, mitochondrial
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)291,68332
ポリマ-285,45912
非ポリマー6,22520
28,6621591
1
A: Lon protease homolog, mitochondrial
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)24,4113
ポリマ-23,7881
非ポリマー6232
181
タイプ名称対称操作
identity operation1_555x,y,z1
2
B: Lon protease homolog, mitochondrial
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)24,4113
ポリマ-23,7881
非ポリマー6232
181
タイプ名称対称操作
identity operation1_555x,y,z1
3
C: Lon protease homolog, mitochondrial
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)24,4113
ポリマ-23,7881
非ポリマー6232
181
タイプ名称対称操作
identity operation1_555x,y,z1
4
D: Lon protease homolog, mitochondrial
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)24,1722
ポリマ-23,7881
非ポリマー3841
181
タイプ名称対称操作
identity operation1_555x,y,z1
5
E: Lon protease homolog, mitochondrial
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)24,1722
ポリマ-23,7881
非ポリマー3841
181
タイプ名称対称操作
identity operation1_555x,y,z1
6
F: Lon protease homolog, mitochondrial
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)24,4113
ポリマ-23,7881
非ポリマー6232
181
タイプ名称対称操作
identity operation1_555x,y,z1
7
G: Lon protease homolog, mitochondrial
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)24,2653
ポリマ-23,7881
非ポリマー4762
181
タイプ名称対称操作
identity operation1_555x,y,z1
8
H: Lon protease homolog, mitochondrial
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)24,4113
ポリマ-23,7881
非ポリマー6232
181
タイプ名称対称操作
identity operation1_555x,y,z1
9
I: Lon protease homolog, mitochondrial
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)24,4113
ポリマ-23,7881
非ポリマー6232
181
タイプ名称対称操作
identity operation1_555x,y,z1
10
J: Lon protease homolog, mitochondrial
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)24,1722
ポリマ-23,7881
非ポリマー3841
181
タイプ名称対称操作
identity operation1_555x,y,z1
11
K: Lon protease homolog, mitochondrial
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)24,1722
ポリマ-23,7881
非ポリマー3841
181
タイプ名称対称操作
identity operation1_555x,y,z1
12
L: Lon protease homolog, mitochondrial
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)24,2653
ポリマ-23,7881
非ポリマー4762
181
タイプ名称対称操作
identity operation1_555x,y,z1
単位格子
Length a, b, c (Å)175.373, 175.373, 206.189
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number96
Space group name H-MP43212

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要素

#1: タンパク質
Lon protease homolog, mitochondrial / LONHs / Lon protease-like protein / LONP / Mitochondrial ATP-dependent protease Lon / Serine protease 15


分子量: 23788.221 Da / 分子数: 12 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: LONP1, PRSS15 / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: P36776, endopeptidase La
#2: 化合物
ChemComp-BO2 / N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE / BORTEZOMIB / ボルテゾミブ


分子量: 384.237 Da / 分子数: 12 / 由来タイプ: 合成 / : C19H25BN4O4 / タイプ: SUBJECT OF INVESTIGATION / コメント: 薬剤, 抗がん剤*YM
#3: 化合物
ChemComp-1PE / PENTAETHYLENE GLYCOL / PEG400 / ペンタエチレングリコ-ル


分子量: 238.278 Da / 分子数: 6 / 由来タイプ: 合成 / : C10H22O6 / コメント: 沈殿剤*YM
#4: 化合物 ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / グリセロ-ル


分子量: 92.094 Da / 分子数: 2 / 由来タイプ: 合成 / : C3H8O3
#5: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 1591 / 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
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: 2.78 Å3/Da / 溶媒含有率: 55.71 %
結晶化温度: 293 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 4 / 詳細: 5.0% polyethylene glycol 6000, 0.1M citric acid

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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: ALS / ビームライン: 5.0.3 / 波長: 0.9765 Å
検出器タイプ: ADSC QUANTUM 315r / 検出器: CCD / 日付: 2016年7月20日
放射モノクロメーター: Si(220) / 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: 0.9765 Å / 相対比: 1
反射解像度: 2.12→50 Å / Num. obs: 180816 / % possible obs: 100 % / 冗長度: 14.7 % / Rmerge(I) obs: 0.215 / Rpim(I) all: 0.058 / Rrim(I) all: 0.223 / Χ2: 1.055 / Net I/σ(I): 4.1 / Num. measured all: 2654083
反射 シェル

Diffraction-ID: 1

解像度 (Å)冗長度 (%)Rmerge(I) obsNum. unique obsCC1/2Rpim(I) allRrim(I) allΧ2% possible all
2.12-2.1411.71.04759140.7940.3181.0950.72199.7
2.14-2.1713.11.04859440.8320.31.0910.714100
2.17-2.213.71.01359840.8470.2831.0520.732100
2.2-2.2214.80.99459500.8630.2681.030.733100
2.22-2.25150.9159710.8920.2430.9420.768100
2.25-2.28150.78159510.9210.2080.8080.765100
2.28-2.32150.71359830.930.190.7380.764100
2.32-2.3515.10.63559480.9420.1690.6570.769100
2.35-2.3915.10.59559590.9470.1580.6160.775100
2.39-2.4315.10.58959960.9470.1570.610.776100
2.43-2.4715.10.54459530.9550.1450.5630.78100
2.47-2.51150.53559970.9540.1420.5540.793100
2.51-2.5615.10.48559700.9590.1290.5020.791100
2.56-2.61150.44359950.9690.1180.4590.798100
2.61-2.6715.10.38759750.9750.1030.4010.832100
2.67-2.73150.34960250.980.0930.3610.845100
2.73-2.8150.31959760.9830.0850.330.865100
2.8-2.88150.2760190.9880.0720.2790.9100
2.88-2.96150.23360110.990.0620.2410.942100
2.96-3.06150.20559950.9920.0550.2130.97100
3.06-3.17150.18160270.9940.0480.1871.025100
3.17-3.29150.16560430.9940.0440.171.074100
3.29-3.4414.90.1460550.9960.0370.1451.151100
3.44-3.6214.90.11960380.9960.0320.1231.362100
3.62-3.8514.80.11560650.9970.0310.1191.712100
3.85-4.1514.60.11660920.9960.0310.122.082100
4.15-4.5714.40.10361080.9970.0280.1072.495100
4.57-5.2314.40.09461560.9970.0260.0972.111100
5.23-6.5814.20.09162120.9980.0250.0941.214100
6.58-5014.20.05165040.9990.0140.0531.28399.9

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解析

ソフトウェア
名称バージョン分類
SCALEPACKデータスケーリング
PHENIX1.17_3644精密化
PDB_EXTRACT3.25データ抽出
HKL-2000データ削減
MOLREP位相決定
精密化構造決定の手法: 分子置換
開始モデル: 6WYS
解像度: 2.12→46.04 Å / SU ML: 0.19 / 交差検証法: THROUGHOUT / σ(F): 1.36 / 位相誤差: 17.52 / 立体化学のターゲット値: ML
Rfactor反射数%反射
Rfree0.1941 8832 4.89 %
Rwork0.1572 171844 -
obs0.159 180676 99.96 %
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
原子変位パラメータBiso max: 107.13 Å2 / Biso mean: 26.2282 Å2 / Biso min: 3.56 Å2
精密化ステップサイクル: final / 解像度: 2.12→46.04 Å
タンパク質核酸リガンド溶媒全体
原子数16771 0 526 1591 18888
Biso mean--27.5 35.89 -
残基数----2249
LS精密化 シェル

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

解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.12-2.140.24112920.19375592588499
2.14-2.170.25083080.185756355943100
2.17-2.20.23572960.181456955991100
2.2-2.220.23173050.180156315936100
2.22-2.250.22962990.176256825981100
2.25-2.280.22532810.171656665947100
2.28-2.320.21673100.16956585968100
2.32-2.350.22922780.160256885966100
2.35-2.390.19162660.15656885954100
2.39-2.430.20612980.15956955993100
2.43-2.470.21633060.161656445950100
2.47-2.510.20513100.162356956005100
2.51-2.560.18562910.159356765967100
2.56-2.610.22012700.163157185988100
2.61-2.670.2113170.158856665983100
2.67-2.730.21772610.165757506011100
2.73-2.80.21083010.160556805981100
2.8-2.880.19052800.154257416021100
2.88-2.960.18863000.148656985998100
2.96-3.060.17773080.152556936001100
3.06-3.170.20362960.161457306026100
3.17-3.290.20572870.160657566043100
3.29-3.440.20743040.156357466050100
3.44-3.630.17632860.150757476033100
3.63-3.850.17893050.142857626067100
3.85-4.150.17042910.133658006091100
4.15-4.570.14032970.120657976094100
4.57-5.230.15782910.13558656156100
5.23-6.580.20023000.180259036203100
6.58-46.040.18962980.1886147644599
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)
13.8938-0.97633.57331.5448-0.3785.8112-0.04010.15910.32350.08-0.0064-0.2986-0.31490.38930.00750.122-0.00210.02110.1522-0.01540.181179.9599-40.5323-105.2008
22.24841.19931.42414.05041.30874.8706-0.1821-0.7393-0.33860.65130.0268-0.0827-0.01520.08810.10560.18580.03110.02880.35840.0690.188472.1731-49.3235-92.9375
32.6255-3.16871.69596.0288-1.39614.4583-0.1873-0.2441-0.21720.36950.1357-0.05470.251-0.10810.02960.1373-0.02990.00850.13830.01080.137674.6767-57.6622-100.7677
46.6236-5.6276-0.19146.89510.82472.1799-0.3003-0.4555-0.44680.70260.26690.10470.36180.19130.0620.19850.0257-0.03810.23510.00440.168780.0665-54.6776-91.5281
51.341-0.30770.09551.27240.07091.4236-0.036-0.00160.0488-0.01230.0446-0.1221-0.00690.17730.00060.0922-0.01350.01470.1284-0.01380.122278.6164-49.5059-106.3831
66.2741-0.36281.04221.41540.97033.9979-0.09150.0650.5347-0.31190.0365-0.28-0.63250.04610.08690.1479-0.03030.05570.20220.01950.190181.1501-39.2615-118.2402
71.8396-0.53810.61112.475-3.33916.34970.07760.1374-0.0148-0.1463-0.1183-0.11660.15260.3170.0560.11680.02770.05010.1677-0.03720.167884.2798-50.4042-118.6369
83.6618-2.90321.88427.3996-2.76012.296-0.1591-0.24960.17520.24360.11850.1456-0.2050.12820.06680.1052-0.02340.0030.1857-0.03110.162714.2361-23.9567-92.3022
94.21-1.16641.31252.8019-0.45273.5724-0.09970.38740.1358-0.3119-0.00380.0945-0.1155-0.0340.05950.1914-0.0266-0.0130.16970.01110.158213.4107-28.9201-108.3168
106.15722.51424.08761.15852.15334.5365-0.30610.31410.2193-0.43280.24790.3553-0.711-0.03690.0450.2637-0.0009-0.10030.21630.05180.31679.9175-20.1181-110.9879
111.2050.30280.211.8171-0.36381.4228-0.0202-0.03610.0297-0.02350.0450.2121-0.0471-0.1698-0.01340.10770.01440.00410.1704-0.0120.178710.4303-29.6794-98.346
128.8137-5.803-3.82324.46093.40915.7094-0.2009-0.49620.2860.3790.2513-0.10430.12450.079-0.12430.1446-0.01060.03970.2415-0.00690.161310.992-32.44-82.8166
131.7237-0.87361.1642.4649-2.93286.0909-0.0228-0.0421-0.08980.08440.16080.4037-0.0379-0.502-0.12680.0909-0.00990.040.2391-0.01910.27722.4233-36.1334-89.7872
142.3793-1.27241.6171.2583-1.41876.8264-0.2198-0.2530.20750.21390.13920.0593-0.3766-0.0010.05740.14080.0039-0.02360.1624-0.03820.179867.1105-23.9073-81.6508
156.0942-0.96122.08955.2127-1.98728.0669-0.2862-0.3427-0.57140.64050.2311-0.30620.28780.00640.06660.19730.01580.00790.1577-0.01540.204465.1846-40.0293-79.9534
166.8451-0.81985.34244.021-0.95946.2454-0.0842-0.0477-0.29270.0970.1424-0.21610.01860.1055-0.1370.1154-0.00230.00890.1169-0.01270.088575.4915-39.1296-86.3431
173.4529-3.37810.5743.3316-0.55290.4335-0.2418-0.1837-0.31940.32170.14850.06960.04140.06660.17960.18260.02360.00030.24410.0320.171973.2734-39.971-75.862
180.892-0.3117-0.0540.7066-0.37630.8771-0.0879-0.13450.11070.11020.0122-0.1549-0.13540.11770.04160.1506-0.0103-0.04870.1512-0.02260.158573.0294-28.8413-86.2994
196.12933.87852.32983.74453.78537.43310.0075-0.10680.74420.0976-0.11250.0698-0.4162-0.22020.15950.2021-0.0194-0.06150.114-0.0080.271970.7165-14.034-90.2566
200.9660.02831.04925.0606-2.25842.5481-0.18030.10490.35240.1053-0.1667-0.4237-0.22140.24060.28610.1354-0.0636-0.0440.20490.0030.280580.6485-19.2289-92.0939
213.35211.0173-0.79811.39590.93171.462-0.33250.34980.03720.4807-0.1443-0.4045-0.57350.6791-1.57750.3213-0.0236-0.24910.2639-0.08380.485387.1375-31.9378-73.2783
226.5795-5.03781.69514.6264-1.93442.22430.04220.1578-0.147-0.3349-0.06970.23570.11360.15290.04260.2059-0.0581-0.00090.13750.01970.145839.3217-76.8666-101.4975
232.1543-0.52870.66944.5794-2.62184.88310.0006-0.07420.06440.2613-0.0514-0.1866-0.13060.17560.02940.1508-0.0097-0.00430.1091-0.01820.140243.2933-70.0056-87.0273
241.82242.3914-2.78466.7199-5.89165.81280.2334-0.381-0.1910.4656-0.506-0.3505-0.2621.07090.36950.1953-0.00960.01110.20480.00190.19449.5144-77.0378-86.3154
251.23520.04570.330.8846-0.47671.10970.0238-0.0322-0.1096-0.09280.01390.07790.1083-0.0528-0.04070.1881-0.03650.01120.10810.01040.166133.9038-75.3672-95.9277
262.9531-1.21531.38012.1484-1.53911.8760.1937-0.2817-0.3938-0.14240.06940.39360.3723-0.3709-0.21280.2566-0.0989-0.00660.180.04910.265424.0074-79.7534-93.9577
271.5873-1.10220.27684.1649-4.01594.43750.00630.140.19220.2059-0.037-0.1092-0.22140.2144-0.00030.162-0.0059-0.01060.1159-0.02070.161639.2616-5.8181-98.2468
284.3562-1.12890.19251.3550.24532.34240.02950.30690.2355-0.2049-0.08510.0424-0.0237-0.22970.03650.202-0.0282-0.03330.13550.01390.16327.0337-13.0256-106.2115
292.6783-0.6035-0.68491.6826-0.44991.59670.06570.1910.1861-0.16070.01620.143-0.0738-0.2097-0.05010.1779-0.0038-0.02240.1231-0.00710.148230.9615-7.94-105.8036
301.61660.099-0.16950.6335-0.09212.5885-0.0369-0.03350.30210.00360.03310.1824-0.154-0.1477-0.00280.1550.0249-0.01640.1166-0.00850.209127.6291-6.7323-94.1055
313.45481.4281-0.10194.6425-0.37914.5827-0.0675-0.23850.36620.09370.1293-0.1005-0.20120.3055-0.09380.19130.0181-0.00540.1395-0.06930.140139.0573-6.2071-84.5463
321.6626-0.21871.99010.7507-0.8784.9108-0.0864-0.22020.15210.08420.0570.1038-0.3459-0.39280.02270.17890.03880.02360.1369-0.05480.200927.6639-4.162-85.1494
335.7086-1.77952.23112.6061-1.42771.50280.15230.28440.0136-0.117-0.2087-0.1499-0.11590.29850.09480.1909-0.00470.0610.1522-0.01640.153966.1987-67.1235-114.8486
343.1078-0.51920.31933.8833-0.99153.12810.0531-0.2795-0.09430.2785-0.0681-0.06970.15460.026-0.02320.1606-0.00720.00370.1519-0.00270.085859.4776-70.2912-100.0001
350.79431.3791-1.36992.4328-2.3232.42290.1677-0.4501-0.25110.3215-0.1476-0.33740.05860.40010.06220.26310.0078-0.08590.25660.04860.26668.4704-72.9992-96.7445
361.58760.33310.30791.7886-0.04370.79630.04490.0365-0.137-0.06140.0015-0.14730.11150.1149-0.03840.1280.00480.01280.1053-0.01410.128960.346-72.3604-110.3144
375.8451-1.5114-0.63614.52661.82386.32210.05270.42750.0228-0.438-0.0436-0.1932-0.10680.0384-0.01990.2128-0.00190.04190.1189-0.03920.129758.9474-70.7875-125.6733
381.78-0.55331.831.2367-0.93845.52630.05740.0874-0.2753-0.162-0.0036-0.00390.43250.051-0.05290.2159-0.00060.00460.0872-0.06370.201555.8314-80.2207-120.3593
393.1685-0.07343.82381.604-1.26957.12950.0060.1733-0.1349-0.21310.02720.14390.15690.1974-0.06070.21460.00910.04010.1333-0.01120.146355.252-39.5236-137.2926
403.0299-0.33810.38163.0685-0.96583.1730.06740.13340.2532-0.21410.00340.2246-0.289-0.1633-0.08680.19460.0464-0.02250.1238-0.00940.152247.4536-26.1395-132.3229
411.80610.10750.89524.0528-1.46112.89240.01850.08260.0133-0.39820.06640.3056-0.0011-0.2249-0.11520.19430.02240.0010.1725-0.02330.139746.5705-31.5078-135.6231
421.663-0.47780.34331.4497-0.53070.20930.00710.18060.0326-0.2115-0.0221-0.0603-0.01420.12770.00820.22190.00690.03470.17620.02460.11460.5725-31.5784-136.9818
433.8941-2.4821.76092.1187-1.36063.14810.01250.3210.3022-0.137-0.1306-0.3-0.0590.3050.10370.1826-0.02120.07060.20650.05740.171469.5573-29.4706-137.2471
441.59140.16671.02723.8155-3.645.48150.0784-0.1897-0.17540.16110.09110.3144-0.0834-0.3152-0.18190.17370.01310.0190.1728-0.04950.15240.6257-33.8367-68.3237
453.42590.18760.14813.70970.08612.3117-0.0211-0.2486-0.3350.13230.0321-0.20260.19410.06790.01330.16110.03220.01970.13660.00970.148955.2755-39.3733-72.3039
464.94923.06675.71813.84542.91277.09080.1005-0.2212-1.00160.16460.2599-0.54870.41210.2488-0.27870.21880.03580.01150.25220.05790.241855.3667-45.1418-64.4816
471.0601-0.04050.01451.6020.06020.6112-0.0041-0.16340.01120.1203-0.02470.0138-0.0642-0.010.02870.16910.005-0.00160.1639-0.02270.105446.6997-29.0066-69.2522
481.9605-2.26260.61543.7673-1.05751.1934-0.1117-0.20690.18560.39650.0818-0.2011-0.20530.08560.03370.2543-0.0053-0.03410.1947-0.06860.129948.0965-17.8217-66.2149
497.31821.42145.81889.0391.18374.90390.3308-1.4893-0.71171.85090.0994-0.494-0.29511.1462-0.40940.72620.0205-0.03870.87090.050.308957.5096-30.849-50.9046
505.2737-4.3042.05444.5986-1.58152.3392-0.0078-0.2448-0.28150.22680.09320.3128-0.0556-0.263-0.02270.1489-0.0567-0.03990.2091-0.00010.21639.5311-50.069-109.4216
512.8796-2.34482.8946.3838-2.76355.3233-0.21860.33170.4638-0.08520.1206-0.0969-0.7133-0.0660.16810.1854-0.0232-0.00680.22280.01240.174217.8884-38.3128-116.2219
523.4673-0.5723.57852.0366-0.17294.2832-0.07220.17580.0631-0.15110.0579-0.1183-0.4427-0.01570.19580.1682-0.0148-0.02130.20560.01230.195616.9472-45.8507-125.406
533.67031.65883.69851.75242.16333.9916-0.44880.43150.3274-0.31730.08920.194-0.82920.10840.4620.23360.0073-0.06760.2578-0.01110.2449.6241-38.2315-123.5783
542.4338-1.09870.70776.0614.27186.2171-0.1189-0.1027-0.08990.45080.23230.06460.53160.2267-0.18450.1211-0.0202-0.03840.12240.02050.18719.7253-48.2144-108.3324
550.1705-0.05620.29241.6997-0.23741.05260.0583-0.0361-0.1116-0.125-0.04730.21540.0536-0.16870.00440.1461-0.0427-0.06930.20570.00140.200310.9789-53.0217-120.7342
560.7917-1.2002-0.27583.65320.21483.31910.107-0.2922-0.37110.2-0.08210.30640.2679-0.2943-0.01380.1741-0.0811-0.0260.18730.02420.257610.9216-63.304-107.5879
571.7680.05840.60543.5256-2.23372.02450.2473-0.0517-0.3209-0.35670.01180.29730.4491-0.1376-0.1440.2087-0.078-0.09370.2068-0.01030.288511.7359-68.0253-116.0495
586.95981.4498-1.76615.5812.06674.22380.17020.8255-0.1816-0.81070.07090.61070.1492-0.68340.09280.2363-0.0813-0.13360.27160.02220.31885.5666-56.3911-125.9131
596.1989-0.93122.73720.28-0.93913.78960.13370.1532-0.3282-0.09590.03630.17160.2594-0.1891-0.15460.234-0.0256-0.04050.167-0.04310.162130.4766-58.2038-132.0239
603.1382-0.1507-0.15272.6991-0.42193.39130.02440.24220.357-0.280.04370.1181-0.1839-0.2208-0.00770.18510.0074-0.03630.13790.00850.183334.2954-41.9459-134.8033
612.28140.0405-0.41021.4732-0.84324.1740.07210.18230.1396-0.15710.08810.3123-0.1648-0.4236-0.16840.1869-0.013-0.06030.1758-0.00930.229.2136-45.7871-133.3735
620.7593-0.6294-0.43441.5383-0.26260.63140.0270.1725-0.0883-0.30650.00650.11310.1047-0.129-0.03710.2691-0.019-0.05880.208-0.04470.135137.3682-56.2237-138.2223
631.6613-1.73370.85864.1631-1.23241.04870.21810.3505-0.121-0.5864-0.20120.05280.1130.0534-0.03680.3319-0.0118-0.00190.2165-0.06030.127443.5629-61.2403-142.6894
640.9355-2.07521.60346.454-3.41964.5240.07550.0671-0.16690.02330.06770.24010.3088-0.2398-0.13710.176-0.05250.03910.19630.00260.143126.6726-60.1589-78.1832
657.7162-4.20235.64063.7394-5.40768.1180.31010.0174-0.3091-0.0923-0.2624-0.09720.38770.69540.07380.22580.01940.03030.2372-0.01910.214542.1827-59.0871-80.2757
664.7011-1.04111.75466.1884-4.06653.03970.0422-0.32460.02080.3627-0.0451-0.1539-0.26860.15940.03770.1231-0.00230.00520.1263-0.02570.160841.166-52.4324-70.2398
671.5683-0.55020.83162.1142-0.6845.89430.0226-0.0933-0.13760.18110.0176-0.04480.38770.223-0.05050.1761-0.00130.0240.13490.0180.156237.3327-59.4881-73.5824
686.5921-3.1415-2.04254.59261.37441.3939-0.3088-0.3562-0.4420.54170.22240.19520.1207-0.19150.05820.3065-0.07660.04780.27750.060.177624.6327-61.4634-67.3221
692.8004-0.59640.37491.37910.31731.3167-0.0774-0.0215-0.00380.07450.03930.0819-0.0276-0.26470.04610.1751-0.01420.05080.20250.020.097424.2768-48.033-73.5399
705.8128-2.47072.43361.6425-1.43383.0371-0.1465-0.48870.01580.28440.17690.2115-0.0849-0.3269-0.0250.18790.00780.08260.248-0.01770.151917.217-45.9833-69.0375
716.4482-0.1872-0.45854.00221.73914.16640.1934-0.7654-0.32891.01960.10750.30490.1094-0.24-0.14180.3483-0.00670.08150.31710.06270.149828.5888-55.2107-60.8865
721.4112-1.87262.20852.7967-1.68367.73490.12770.1722-0.0167-0.1047-0.183-0.2369-0.21860.27260.0190.1363-0.00840.00510.12540.04170.228760.1538-13.6317-120.4077
732.1789-0.33810.4613.5228-1.40992.30080.06340.1898-0.0984-0.0077-0.08830.2592-0.1182-0.0776-0.02180.12670.0129-0.00370.1322-0.00420.10343.6877-11.0115-118.5926
743.7477-5.1978-0.9148.50670.54670.62430.33770.5566-0.0888-0.4973-0.5020.3222-0.0465-0.01790.14880.24810.0222-0.01960.17690.00580.173943.8756-8.8296-127.258
751.0224-0.26140.23721.27390.01640.9271-0.0010.06910.1416-0.0284-0.0532-0.1529-0.04770.08230.04770.1713-0.0150.00680.11330.03670.189657.0393-9.1315-114.5282
763.5335-0.58342.72821.4017-1.18743.1605-0.14960.10360.33120.1672-0.1134-0.2967-0.26590.2090.25070.2233-0.0597-0.02730.10820.00920.275762.038-1.0403-107.9827
773.6641-0.45680.89231.41881.90043.1879-0.24731.09950.7099-0.277-0.4111-0.5232-1.12960.52170.34040.427-0.02140.00880.35610.20940.535353.04598.2437-125.9997
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 754 through 785 )A754 - 785
2X-RAY DIFFRACTION2chain 'A' and (resid 786 through 807 )A786 - 807
3X-RAY DIFFRACTION3chain 'A' and (resid 808 through 828 )A808 - 828
4X-RAY DIFFRACTION4chain 'A' and (resid 829 through 843 )A829 - 843
5X-RAY DIFFRACTION5chain 'A' and (resid 844 through 894 )A844 - 894
6X-RAY DIFFRACTION6chain 'A' and (resid 895 through 908 )A895 - 908
7X-RAY DIFFRACTION7chain 'A' and (resid 909 through 948 )A909 - 948
8X-RAY DIFFRACTION8chain 'B' and (resid 754 through 785 )B754 - 785
9X-RAY DIFFRACTION9chain 'B' and (resid 786 through 828 )B786 - 828
10X-RAY DIFFRACTION10chain 'B' and (resid 829 through 843 )B829 - 843
11X-RAY DIFFRACTION11chain 'B' and (resid 844 through 894 )B844 - 894
12X-RAY DIFFRACTION12chain 'B' and (resid 895 through 908 )B895 - 908
13X-RAY DIFFRACTION13chain 'B' and (resid 909 through 948 )B909 - 948
14X-RAY DIFFRACTION14chain 'C' and (resid 755 through 785 )C755 - 785
15X-RAY DIFFRACTION15chain 'C' and (resid 786 through 807 )C786 - 807
16X-RAY DIFFRACTION16chain 'C' and (resid 808 through 828 )C808 - 828
17X-RAY DIFFRACTION17chain 'C' and (resid 829 through 844 )C829 - 844
18X-RAY DIFFRACTION18chain 'C' and (resid 845 through 894 )C845 - 894
19X-RAY DIFFRACTION19chain 'C' and (resid 895 through 908 )C895 - 908
20X-RAY DIFFRACTION20chain 'C' and (resid 909 through 946 )C909 - 946
21X-RAY DIFFRACTION21chain 'C' and (resid 947 through 957 )C947 - 957
22X-RAY DIFFRACTION22chain 'D' and (resid 755 through 785 )D755 - 785
23X-RAY DIFFRACTION23chain 'D' and (resid 786 through 828 )D786 - 828
24X-RAY DIFFRACTION24chain 'D' and (resid 829 through 844 )D829 - 844
25X-RAY DIFFRACTION25chain 'D' and (resid 845 through 908 )D845 - 908
26X-RAY DIFFRACTION26chain 'D' and (resid 909 through 949 )D909 - 949
27X-RAY DIFFRACTION27chain 'E' and (resid 755 through 785 )E755 - 785
28X-RAY DIFFRACTION28chain 'E' and (resid 786 through 828 )E786 - 828
29X-RAY DIFFRACTION29chain 'E' and (resid 829 through 869 )E829 - 869
30X-RAY DIFFRACTION30chain 'E' and (resid 870 through 894 )E870 - 894
31X-RAY DIFFRACTION31chain 'E' and (resid 895 through 908 )E895 - 908
32X-RAY DIFFRACTION32chain 'E' and (resid 909 through 949 )E909 - 949
33X-RAY DIFFRACTION33chain 'F' and (resid 754 through 785 )F754 - 785
34X-RAY DIFFRACTION34chain 'F' and (resid 786 through 828 )F786 - 828
35X-RAY DIFFRACTION35chain 'F' and (resid 829 through 843 )F829 - 843
36X-RAY DIFFRACTION36chain 'F' and (resid 844 through 894 )F844 - 894
37X-RAY DIFFRACTION37chain 'F' and (resid 895 through 908 )F895 - 908
38X-RAY DIFFRACTION38chain 'F' and (resid 909 through 948 )F909 - 948
39X-RAY DIFFRACTION39chain 'G' and (resid 755 through 785 )G755 - 785
40X-RAY DIFFRACTION40chain 'G' and (resid 786 through 828 )G786 - 828
41X-RAY DIFFRACTION41chain 'G' and (resid 829 through 856 )G829 - 856
42X-RAY DIFFRACTION42chain 'G' and (resid 857 through 908 )G857 - 908
43X-RAY DIFFRACTION43chain 'G' and (resid 909 through 948 )G909 - 948
44X-RAY DIFFRACTION44chain 'H' and (resid 755 through 785 )H755 - 785
45X-RAY DIFFRACTION45chain 'H' and (resid 786 through 828 )H786 - 828
46X-RAY DIFFRACTION46chain 'H' and (resid 829 through 843 )H829 - 843
47X-RAY DIFFRACTION47chain 'H' and (resid 844 through 908 )H844 - 908
48X-RAY DIFFRACTION48chain 'H' and (resid 909 through 946 )H909 - 946
49X-RAY DIFFRACTION49chain 'H' and (resid 947 through 957 )H947 - 957
50X-RAY DIFFRACTION50chain 'I' and (resid 754 through 785 )I754 - 785
51X-RAY DIFFRACTION51chain 'I' and (resid 786 through 807 )I786 - 807
52X-RAY DIFFRACTION52chain 'I' and (resid 808 through 828 )I808 - 828
53X-RAY DIFFRACTION53chain 'I' and (resid 829 through 844 )I829 - 844
54X-RAY DIFFRACTION54chain 'I' and (resid 845 through 856 )I845 - 856
55X-RAY DIFFRACTION55chain 'I' and (resid 857 through 894 )I857 - 894
56X-RAY DIFFRACTION56chain 'I' and (resid 895 through 908 )I895 - 908
57X-RAY DIFFRACTION57chain 'I' and (resid 909 through 938 )I909 - 938
58X-RAY DIFFRACTION58chain 'I' and (resid 939 through 949 )I939 - 949
59X-RAY DIFFRACTION59chain 'J' and (resid 754 through 785 )J754 - 785
60X-RAY DIFFRACTION60chain 'J' and (resid 786 through 828 )J786 - 828
61X-RAY DIFFRACTION61chain 'J' and (resid 829 through 856 )J829 - 856
62X-RAY DIFFRACTION62chain 'J' and (resid 857 through 908 )J857 - 908
63X-RAY DIFFRACTION63chain 'J' and (resid 909 through 949 )J909 - 949
64X-RAY DIFFRACTION64chain 'K' and (resid 754 through 785 )K754 - 785
65X-RAY DIFFRACTION65chain 'K' and (resid 786 through 807 )K786 - 807
66X-RAY DIFFRACTION66chain 'K' and (resid 808 through 828 )K808 - 828
67X-RAY DIFFRACTION67chain 'K' and (resid 829 through 869 )K829 - 869
68X-RAY DIFFRACTION68chain 'K' and (resid 870 through 879 )K870 - 879
69X-RAY DIFFRACTION69chain 'K' and (resid 880 through 908 )K880 - 908
70X-RAY DIFFRACTION70chain 'K' and (resid 909 through 938 )K909 - 938
71X-RAY DIFFRACTION71chain 'K' and (resid 939 through 949 )K939 - 949
72X-RAY DIFFRACTION72chain 'L' and (resid 754 through 785 )L754 - 785
73X-RAY DIFFRACTION73chain 'L' and (resid 786 through 828 )L786 - 828
74X-RAY DIFFRACTION74chain 'L' and (resid 829 through 844 )L829 - 844
75X-RAY DIFFRACTION75chain 'L' and (resid 845 through 908 )L845 - 908
76X-RAY DIFFRACTION76chain 'L' and (resid 909 through 946 )L909 - 946
77X-RAY DIFFRACTION77chain 'L' and (resid 947 through 956 )L947 - 956

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万見について

-
お知らせ

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

EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

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

関連情報:EMDBヘッダ

外部リンク:wwPDBはEMDBデータモデルのバージョン3へ移行します

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2020年8月12日: 新型コロナ情報

新型コロナ情報

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

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

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

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2020年3月5日: 新型コロナウイルスの構造データ

新型コロナウイルスの構造データ

関連情報:万見生物種 / 2020年8月12日: 新型コロナ情報

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

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2019年1月31日: EMDBのIDの桁数の変更

EMDBのIDの桁数の変更

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

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

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

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2017年7月12日: PDB大規模アップデート

PDB大規模アップデート

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

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

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万見 (Yorodumi)

幾万の構造データを、幾万の視点から

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

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

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