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- PDB-9dql: human ClpP - Bortezomib - A192E / E196R -

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基本情報

登録情報
データベース: PDB / ID: 9dql
タイトルhuman ClpP - Bortezomib - A192E / E196R
要素ATP-dependent Clp protease proteolytic subunit, mitochondrial
キーワードHYDROLASE / Endopeptidase / Extended / Inhibitor / Mutant
機能・相同性
機能・相同性情報


membrane protein proteolysis / mitochondrial protein catabolic process / endopeptidase Clp / endopeptidase Clp complex / ATP-dependent peptidase activity / protein quality control for misfolded or incompletely synthesized proteins / Mitochondrial protein degradation / proteolysis involved in protein catabolic process / peptidase activity / ATPase binding ...membrane protein proteolysis / mitochondrial protein catabolic process / endopeptidase Clp / endopeptidase Clp complex / ATP-dependent peptidase activity / protein quality control for misfolded or incompletely synthesized proteins / Mitochondrial protein degradation / proteolysis involved in protein catabolic process / peptidase activity / ATPase binding / endopeptidase activity / mitochondrial matrix / serine-type endopeptidase activity / mitochondrion / proteolysis / identical protein binding
類似検索 - 分子機能
ClpP, Ser active site / Endopeptidase Clp serine active site. / ClpP, histidine active site / Endopeptidase Clp histidine active site. / ATP-dependent Clp protease proteolytic subunit / Clp protease proteolytic subunit /Translocation-enhancing protein TepA / Clp protease / ClpP/crotonase-like domain superfamily
類似検索 - ドメイン・相同性
Chem-BO2 / ATP-dependent Clp protease proteolytic subunit, 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: 3.2 Å
データ登録者Forrester, T.J.B. / Kimber, M.S.
資金援助 カナダ, 2件
組織認可番号
Natural Sciences and Engineering Research Council (NSERC, Canada)RGPIN-2020-07113 カナダ
Canadian Institutes of Health Research (CIHR)PJT-186334 カナダ
引用ジャーナル: Proc Natl Acad Sci U S A / : 2025
タイトル: Mechanism of allosteric activation in human mitochondrial ClpP protease.
著者: Monica M Goncalves / Adwaith B Uday / Taylor J B Forrester / S Quinn W Currie / Angelina S Kim / Yue Feng / Yulia Jitkova / Algirdas Velyvis / Robert W Harkness / Matthew S Kimber / Aaron D ...著者: Monica M Goncalves / Adwaith B Uday / Taylor J B Forrester / S Quinn W Currie / Angelina S Kim / Yue Feng / Yulia Jitkova / Algirdas Velyvis / Robert W Harkness / Matthew S Kimber / Aaron D Schimmer / Natalie Zeytuni / Siavash Vahidi /
要旨: Human ClpP protease contributes to mitochondrial protein quality control by degrading misfolded proteins. ClpP is overexpressed in cancers such as acute myeloid leukemia (AML), where its inhibition ...Human ClpP protease contributes to mitochondrial protein quality control by degrading misfolded proteins. ClpP is overexpressed in cancers such as acute myeloid leukemia (AML), where its inhibition leads to the accumulation of damaged respiratory chain subunits and cell death. Conversely, hyperactivating ClpP with small-molecule activators, such as the recently discovered ONC201, disrupts mitochondrial protein degradation and impairs respiration in cancer cells. Despite its critical role in human health, the mechanism underlying the structural and functional properties of human ClpP remains elusive. Notably, human ClpP is paradoxically activated by active-site inhibitors. All available structures of human ClpP published to date are in the inactive compact or compressed states, surprisingly even when ClpP is bound to an activator molecule such as ONC201. Here, we present structures of human mitochondrial ClpP in the active extended state, including a pair of structures where ClpP is bound to an active-site inhibitor. We demonstrate that amino acid substitutions in the handle region (A192E and E196R) recreate a conserved salt bridge found in bacterial ClpP, stabilizing the extended active state and significantly enhancing ClpP activity. We elucidate the ClpP activation mechanism, highlighting a hormetic effect where substoichiometric inhibitor binding triggers an allosteric transition that drives ClpP into its active extended state. Our findings link the conformational dynamics of ClpP to its catalytic function and provide high-resolution structures for the rational design of potent and specific ClpP inhibitors, with implications for targeting AML and other disorders with ClpP involvement.
履歴
登録2024年9月24日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02025年4月30日Provider: repository / タイプ: Initial release

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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: ATP-dependent Clp protease proteolytic subunit, mitochondrial
B: ATP-dependent Clp protease proteolytic subunit, mitochondrial
C: ATP-dependent Clp protease proteolytic subunit, mitochondrial
D: ATP-dependent Clp protease proteolytic subunit, mitochondrial
E: ATP-dependent Clp protease proteolytic subunit, mitochondrial
F: ATP-dependent Clp protease proteolytic subunit, mitochondrial
G: ATP-dependent Clp protease proteolytic subunit, mitochondrial
H: ATP-dependent Clp protease proteolytic subunit, mitochondrial
I: ATP-dependent Clp protease proteolytic subunit, mitochondrial
J: ATP-dependent Clp protease proteolytic subunit, mitochondrial
K: ATP-dependent Clp protease proteolytic subunit, mitochondrial
L: ATP-dependent Clp protease proteolytic subunit, mitochondrial
M: ATP-dependent Clp protease proteolytic subunit, mitochondrial
N: ATP-dependent Clp protease proteolytic subunit, mitochondrial
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)429,88637
ポリマ-424,18814
非ポリマー5,69823
00
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
  • 根拠: 電子顕微鏡法, gel filtration
タイプ名称対称操作
identity operation1_555x,y,z1
単位格子
Length a, b, c (Å)122.190, 93.880, 133.720
Angle α, β, γ (deg.)90.000, 97.870, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z

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要素

#1: タンパク質
ATP-dependent Clp protease proteolytic subunit, mitochondrial / Endopeptidase Clp


分子量: 30299.133 Da / 分子数: 14 / 変異: A192E, E196R / 由来タイプ: 組換発現 / 詳細: mitochondrial targeting sequence removed, mutant / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: CLPP / プラスミド: pET24a+ / 発現宿主: Escherichia coli BL21(DE3) (大腸菌) / 参照: UniProt: Q16740, endopeptidase Clp
#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: 14 / 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-CL / CHLORIDE ION / クロリド


分子量: 35.453 Da / 分子数: 9 / 由来タイプ: 合成 / : Cl
研究の焦点であるリガンドがあるかY
Has protein modificationN

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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: 1.74 Å3/Da / 溶媒含有率: 29.4 %
結晶化温度: 295 K / 手法: 蒸気拡散法, シッティングドロップ法
詳細: 200 mM potassium acetate, 35% (v/v) pentaerythritol propoxylate (5/4 PO/OH)

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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: CLSI / ビームライン: 08ID-1 / 波長: 0.95358 Å
検出器タイプ: DECTRIS EIGER X 9M / 検出器: PIXEL / 日付: 2023年11月23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: 0.95358 Å / 相対比: 1
反射解像度: 3.03→48.08 Å / Num. obs: 114141 / % possible obs: 99.8 % / 冗長度: 6.8 % / Biso Wilson estimate: 98.14 Å2 / CC1/2: 0.998 / Net I/σ(I): 8.9
反射 シェル解像度: 3.03→3.09 Å / Mean I/σ(I) obs: 0.67 / Num. unique obs: 3791 / CC1/2: 0.246

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解析

ソフトウェア
名称バージョン分類
XDSデータ削減
XSCALEデータスケーリング
PHASER位相決定
PHENIX1.20.1_4487精密化
精密化構造決定の手法: 分子置換 / 解像度: 3.2→44.24 Å / SU ML: 0.5864 / 交差検証法: FREE R-VALUE / σ(F): 1.34 / 位相誤差: 28.5714
立体化学のターゲット値: GeoStd + Monomer Library + CDL v1.2
Rfactor反射数%反射
Rfree0.2368 3309 3.42 %
Rwork0.1859 93431 -
obs0.1877 96740 99.69 %
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.1 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL
原子変位パラメータBiso mean: 132.5 Å2
精密化ステップサイクル: LAST / 解像度: 3.2→44.24 Å
タンパク質核酸リガンド溶媒全体
原子数19668 0 401 0 20069
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.002820451
X-RAY DIFFRACTIONf_angle_d0.521327634
X-RAY DIFFRACTIONf_chiral_restr0.04073143
X-RAY DIFFRACTIONf_plane_restr0.00363500
X-RAY DIFFRACTIONf_dihedral_angle_d13.31967696
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.2-3.250.44011370.37353802X-RAY DIFFRACTION98.87
3.25-3.290.40121380.35713888X-RAY DIFFRACTION99.38
3.29-3.350.36181420.32413952X-RAY DIFFRACTION99.85
3.35-3.40.31691390.31373864X-RAY DIFFRACTION99.85
3.4-3.460.37391370.31483897X-RAY DIFFRACTION99.95
3.46-3.520.35271400.29723863X-RAY DIFFRACTION100
3.52-3.590.34541430.28853972X-RAY DIFFRACTION99.78
3.59-3.660.3061360.27023852X-RAY DIFFRACTION99.87
3.66-3.740.33721390.27943919X-RAY DIFFRACTION100
3.74-3.830.34881390.23633904X-RAY DIFFRACTION99.98
3.83-3.920.26841400.22623928X-RAY DIFFRACTION99.88
3.93-4.030.31061350.21033885X-RAY DIFFRACTION99.93
4.03-4.150.24681380.19913882X-RAY DIFFRACTION99.9
4.15-4.280.26011400.19523951X-RAY DIFFRACTION99.83
4.28-4.440.20011390.17643889X-RAY DIFFRACTION99.95
4.44-4.610.19991330.16673846X-RAY DIFFRACTION99.82
4.61-4.820.19461410.14443941X-RAY DIFFRACTION99.9
4.82-5.080.21451380.15713879X-RAY DIFFRACTION99.73
5.08-5.40.22131330.18623867X-RAY DIFFRACTION99.85
5.4-5.810.22411410.18353965X-RAY DIFFRACTION99.73
5.81-6.390.26311360.19973870X-RAY DIFFRACTION99.5
6.39-7.320.2091310.16973865X-RAY DIFFRACTION99.08
7.32-9.20.17491400.13713898X-RAY DIFFRACTION99.68
9.21-44.240.18331340.12053852X-RAY DIFFRACTION98.52
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)
13.29505249831.493897491020.6467392286033.011936882170.04444362863852.735524579660.270070035016-0.4337736974710.4775385025780.725304844311-0.04169735817980.91125960939-0.227288767172-0.406931579719-0.1631593982391.47423393343-0.1045218447640.3111402750760.691672366178-0.1462862279571.22259332996-102.2585062136.7159785982.52880580756
22.16612667933.83319350335-3.792548029226.46725070526-6.232160346245.923458127740.5550100987910.01050797180990.2553941204070.714670784379-0.1341733228960.623801914369-1.25743530433-0.65955021304-0.3016292835211.169600622190.004808693070620.09097984291060.828438199966-0.06455309139151.04480340198-87.660019428722.3674438028-9.89722078046
38.825590341254.54613342747-5.730787772656.08121226327-5.487157225518.246065443170.0830775176113-1.10181242528-0.09762604361420.155183576791-0.152144708869-0.615494869189-0.0139688209490.7088713860890.02234849528011.31055448116-0.124037055295-0.0271954264130.961943830557-0.111975603980.912104841254-85.706360837811.78860545739.19054612426
45.336217041135.074891632736.659875361684.903848423076.25006458988.424310741290.047892327977-0.8252841117840.06984510101450.76801871784-0.3419311212381.68779367984-0.0991747818536-0.9481453044170.3620240530381.48661039055-0.05732492540750.2499171288830.9425805326370.01097195182921.49612455988-111.178892559-19.483053832-3.32563515111
55.49423360764-0.658821538175-0.211053328483.285169008480.3900742423136.016660534430.0899940496704-0.76066203107-0.1650532240970.785890307128-0.2778993258330.315686554457-0.00918067557649-0.08380889930270.1605268015881.26433154631-0.2251862450840.08189302684310.76089001647-0.0172136084870.968295979818-95.3976059577-15.61798002345.76420653952
68.7274827718.21577032123-6.012596019497.0256299389-5.229420539534.016845728080.744430470475-0.39157449778-0.2222057806040.514741652838-0.8557076656190.14929946532-0.7715006387460.8279605205570.03092870748641.40567045867-0.06854326066-0.1215941254540.8374400941230.04082042278060.861106372131-76.5443226348-3.170362256061.82365740196
79.202599149596.04017759837-3.273065312125.02081838903-2.663235179354.18395249186-0.0824871298268-0.434476290963-1.543860587051.08201537108-0.581280613535-0.5258348659770.2187418251160.2226509508470.668115535271.465333719520.01829427907570.0007138553257410.7586666548530.0459615095781.39489168446-80.8161837767-23.55684143438.20509242573
87.13712196557-5.715097361343.168091940374.77562740702-3.395789423944.10989972863-0.1871238518611.92257091699-1.0828327946-0.4939321151150.1267192309350.4765012125162.10879475892-0.912919517218-0.2492734086711.12226281349-0.1516224874970.2143865284791.00742421154-0.2020178797691.69686225734-115.98524838-25.4780612567-14.098036015
97.19802162938-1.13590297584-2.528482577973.06121956012-0.3130743243098.919597319030.0621303180706-0.134587433541-0.3144784760130.262551137046-0.06133349466770.6917379095830.631215803231-0.147231530647-1.40336627993E-51.08071828234-0.01191291258650.09802963062480.5041788678230.03336596007721.19212370774-104.693947029-30.8185318469-7.59235847872
106.693392212943.121214718850.6075835101485.72050832919-1.257348739212.451485939410.02630385249750.136119020011-1.120902450291.253488556310.05130788318750.4387958102671.10355152267-0.171482865737-0.1116984024931.21404107062-0.02496542109530.06169071056410.521933253665-0.03151881215431.28945175447-98.4086701906-38.4109265856-10.1994233288
116.672664063164.516880785631.6285115383.54545605950.0285209950431.839796216030.229211929989-0.491666503252-0.7603846980870.793153448929-0.005458220976270.3102053240030.09299997662330.512432646109-0.1564162107351.215226674990.03367638812210.01267942275730.689414980258-0.06488524613161.26366869364-78.7370210579-31.2464263237-8.91522856875
129.151930395510.3609542221862.051959244872.54060766927-4.097656347857.696740177120.899156036317-0.152933445229-1.767805396720.500769180238-0.660577864667-0.362827904361-0.09925264389861.69341490062-0.937596218721.241465043370.1087696285560.01979000752850.758034163611-0.2142430817541.60371603647-82.6836433145-45.3517683911-13.0628215395
139.096770014646.660206399891.062543397676.4599002832-0.6168571756511.74201205005-1.071840041550.286791488483-1.53574009522-0.5640929472070.811603787041-1.086147868950.7126593689840.05253025978880.3404154022341.652940532840.1281069212420.2536153799320.861383351352-0.2288648339541.67333877865-98.4120049765-48.2169111118-17.5723219139
144.951354130390.5666205664092.336171733663.131781198450.1903932283424.82130401602-0.587050085121-0.282867456036-0.9139508252590.8356417029560.0160026109721.0457457002-0.161398467351-0.8140574724330.5165748549971.190888150780.02054029086570.2562759480451.28380129546-0.01928748541541.40927274471-117.872527878-27.7267147528-24.2170173092
154.939276675463.97083029615-0.4675073481014.24199505571-1.116974011485.73072825891-0.07057687688630.905044358193-0.0853295040976-0.1607695572720.9873843000051.077272964330.532792893362-1.16518914996-0.6851753737421.15670217176-0.2323377728150.176928494231.10126856224-0.04476221789521.53743134373-117.597423706-34.591345087-29.7256917706
163.038066304952.399293884932.077415621574.55672138647-0.9276411495275.530713018780.1263226508740.72870540499-0.9261679176860.106157963170.3753473915490.7830376086971.2637899849-0.655306487456-0.6857610194661.09374464762-0.1545255779450.1348660721231.0048266165-0.4105046228191.74697098442-111.780925741-37.8634291048-31.2936797106
176.66059458022-0.6719290612242.304905827310.176475036811-0.249494708423.60791163111-0.5471342342751.63081671194-1.768653513960.01656028295410.447329434392-0.136424108677-0.0181259294702-0.2144896813980.04575668683881.2761846886-0.09209334877250.2905377208641.08835080106-0.4376281032811.51721425168-106.272889651-36.0189352189-39.0986154413
184.985539530576.288267551535.935487413278.330776827168.328264628178.399673860351.238175554480.953140360709-3.160647530711.17386934067-0.0836994212117-0.177860248310.6757675509930.419773849568-1.0057901691.21449856671-0.0922827458845-0.05642004408410.977940789076-0.398770500921.80945566426-93.5966245911-43.2368376503-33.4417292503
196.020439087063.88222949562-5.327390903024.33978599824-6.491338810669.85517204393-0.6110091710620.33930738941-0.444173425560.742645743387-0.8092283453710.5905876891272.135214164041.035800848250.3652886864751.43979876028-0.02179002054750.05792395616681.36735342943-0.9467637840351.61925319448-101.708368878-45.5526345253-45.024178016
207.36229142255-0.836707465757-0.6013159801611.97679762623-0.9209793542074.408286005931.045016721171.01508893132-1.32299933066-0.493817593601-0.3848536712030.1144521991121.06592270376-0.236436765368-0.4896491660831.52684920275-0.523312389465-0.09868263522492.05132404182-0.4813531041881.50680766858-116.25071449-38.7135067-46.5389811502
216.31280398466-4.2807303561-6.059557087943.022741513364.214031083775.86629848349-0.1150011320480.8131357878233.42693214671-0.2503848424341.4202220711-0.10514243041-2.05106116436-1.1490605273-1.17118746331.598703742450.0153209276049-0.07351498249911.61708024913-0.03006960645991.6437340585-127.143015193-7.87068512639-26.6141122839
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706.3382724462-0.490831554943-5.140283250381.94097886538-0.01857333301654.152364743640.4593427259440.599965460767-0.3043787371170.110553349908-0.8975274047190.108394423936-1.28869431172-0.73789088790.4019623924571.19603015305-0.02413482344040.03600129375911.92759021369-0.6728065421241.4149649321-63.6490975316-27.0806645852-60.9580306117
713.7371152051-3.96510207489-3.499857940967.042920563160.8717957634865.66869206083-0.1034114676410.947373631548-0.679708088535-1.48227306130.414200166336-0.8918517353830.02131009378630.381192612312-0.06780439898521.27795098245-0.1013934274080.2174223690622.1914116916-0.9698864967091.57365248366-70.2003519789-28.7982575779-61.8196306971
724.57027658376-1.281135796084.441413280560.647212090468-1.733859917474.34213950718-0.490231143520.939360672018-1.137214847140.2362107384730.428160961818-0.1975162870590.2799664450070.6762975525210.06368898658651.41187865982-0.243684370870.2964441109311.60400184574-0.8201743756841.60714606057-75.973749019-32.5687233049-54.9782835614
735.49778834324-7.31697424054-4.46547569642.182556975445.564901907884.285085737820.9703086803031.048694676690.180185663303-1.44836076814-0.404069114597-0.4061722813010.0212002470766-0.528751380753-0.3599139253781.33224341607-0.1928866752530.05034804905651.73807285537-0.8208815405331.6787285554-88.8260590218-29.4685990336-62.5624646381
740.5504425186010.400184443719-0.6193213706091.76434898914-2.544486768273.808626965021.788143681850.0235588680192-1.0227712929-0.794151312996-0.6102821997480.3807943472620.637360548466-1.64486055334-0.2297629153151.69847165794-0.08580173011590.03805398471421.72675016548-0.9188775601281.80215006642-83.9164769336-41.5996763057-58.0519941777
753.885664556171.868118723083.438719923437.893690653652.568292595633.650250168322.76011203297-0.654916449183-2.50039446252-0.257118068565-1.64298936988-0.3150764327570.4104625021170.429689532575-0.9747917789311.561376249190.135893370582-0.04071079658441.26892287529-0.4817762819331.84112347933-72.9395790601-43.213939162-52.5936379539
760.566067552735-0.39949345824-2.13544508915.880963883881.892416165259.224320988430.7787507384562.38037526321-0.245243235372-1.45901163384-0.263365608871-0.9679326227351.783250569470.904471682137-1.074894444331.314709983250.4149265926850.2785155103161.8414328881-0.6550938581581.81662211178-62.2406845282-41.2703951225-55.6421847073
776.816052666810.8996155047783.093044961888.36682798525-5.09424552048.277288832870.3505425161920.9178947574990.09986000234570.863003640814-1.42890190567-0.808611220335-0.6879842068640.6616628612490.9545894975751.167465343280.08549123368870.1532682618261.27193493719-0.06411993726031.17922842828-50.5301634005-16.6345883431-41.2147956926
782.62125014862-1.81345353041-1.155893125486.5569683221-2.742909454154.878083877951.661781399353.882671467041.00779771462-1.20352169738-0.129854737242-1.50845931493-0.4343852719-0.345594672290.05362126151211.256004487940.07178263809620.2319147963632.01114690333-0.5375083322591.25961696715-54.4393135205-24.346168511-48.2858709188
797.51870723592-1.8673530299-0.8069765326354.36548011015-2.948197348472.491721845690.1851682233521.35157099401-1.42654427814-0.693177363672-0.561895603096-0.6285824704410.889955014510.05809037331240.2921431006631.016886633250.1495130234620.1887125796781.0797182654-0.363108126071.44135546706-53.1369415364-30.7088794624-38.2398777549
807.782438998163.481303871684.385080964181.404462960090.7147747349183.920070523970.2093345102740.830768809452-0.3747325284760.0293642718214-0.262485389894-0.4769774922040.320196896693-0.1529216352380.08992945283661.285089901120.1878444791040.03188622721131.06061378922-0.3747994614761.3961762366-70.8392543466-37.2516765721-34.6345329255
819.592431260074.17155684484-1.728511268716.88212079642-1.259360946115.505382464960.3493637085-0.781016059624-1.189264349680.258862392793-0.338958435876-0.3665750209880.9801442528980.8480182198220.08849435612341.222817887640.1773133634980.09397322100810.860398832706-0.06219710244281.25609923635-55.8671467694-37.3704330912-24.9317610953
825.823829620941.81650214829-4.232981379274.20907854862-3.058505907166.314775343790.1404779384440.338999631822-0.124667175001-0.229087267151-0.436224653411-0.66491047548-0.2231201426380.6718476988910.04660694457221.107464749050.1690494533610.07514215708551.329342907660.1461479158041.220649349-47.4451720513-5.42639727069-34.1747058763
834.176496376762.243863702051.958667010131.52963637855-0.02716928279163.23298601307-0.057677834230.534412503479-0.3051246853170.414200047058-0.324460791161-0.8988945930270.05249979493390.7819939143610.3450587952360.9242167492420.00033158676759-0.2033893893631.046467614350.2370228518561.19880999983-47.0418811977-9.0443606415-20.2558690214
844.519521298614.961231009831.701436320626.385510071290.7947971806681.098635231770.2049274069360.449132167066-1.184816260460.306868227836-0.0903059228575-0.313289502150.193431315922-0.0210276235239-0.09020544885171.221760129630.100467702139-0.05640327594720.978566883033-0.005377981941641.2819404576-62.3244092373-23.8457752902-13.6050698313
859.214639413674.26056958338-2.656534869186.78935311815-2.514636746133.771555726950.664665376538-1.32064063018-0.1040115331081.4864036747-0.488593241592-0.596299087047-0.006287527869260.905324303864-0.08067316359591.362541315040.0228885443054-0.2076190448161.113483181380.01128933513430.979415460694-49.6894799768-7.23531248877-6.96027196321
869.06705450378-0.474774175532.03447760752.85657873622.460591518172.73069177014-1.051511649933.846812211040.87947746847-2.255098206430.416186515244-0.499901874321-0.149360707101-1.538650702990.6811307733571.42326993195-0.0286994377145-0.009090401145051.936424976780.1849671947211.09116781157-53.290473398712.7345843252-43.8159561053
875.337916989050.861394771292-2.351211316946.552629230491.268473412224.509795871140.05843697078410.3271388045450.00692749383255-0.168024296962-0.0924505656243-0.789345546731-0.5365607340450.7922088019050.02248316146281.02852202643-0.17044647464-0.1819619458670.9365250377550.0651343853180.79662557661-52.636097420915.1640307936-25.6759873719
888.675739794515.1306930011-6.013046091725.42640901625-7.573206487599.721953553630.48472226087-0.25639427338-0.8653792775171.22719865319-0.479123113129-0.90844246949-0.4992037724550.565532057760.1027711366211.04665675749-0.100032468214-0.1749443192640.690895640425-0.03571987214710.830727730726-63.39053850625.96833805871-7.84140094304
899.740577786510.402849423706-2.36942752047.08327911346-4.343243261096.28157805171-0.344924331979-0.1093846064010.108491419290.6423453119441.0061953748-0.391692131443-0.7795644372650.199176286536-0.2903739774941.36818184711-0.0928733212624-0.05194353181660.884427926212-0.1343885837821.09018925239-62.341282218824.2434304363-11.143830948
902.019802094881.77409039324-4.278143468488.73723633692-3.716351505328.96820880128-0.8384507048641.068720586091.05104707451-1.006104819630.460224775882-1.32419629969-0.0601663671289-0.427953252141-0.001679287034781.4910445359-0.1733553155050.04737601213341.061908839810.226759641031.50229848519-53.709301127531.1112109417-25.7413015621
精密化 TLSグループ

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 59 through 177 )AA59 - 1771 - 109
22chain 'A' and (resid 178 through 212 )AA178 - 212110 - 144
33chain 'A' and (resid 213 through 249 )AA213 - 249145 - 181
44chain 'B' and (resid 58 through 81 )BC58 - 811 - 15
55chain 'B' and (resid 82 through 177 )BC82 - 17716 - 111
66chain 'B' and (resid 178 through 212 )BC178 - 212112 - 146
77chain 'B' and (resid 213 through 249 )BC213 - 249147 - 183
88chain 'C' and (resid 58 through 81 )CE58 - 811 - 14
99chain 'C' and (resid 82 through 125 )CE82 - 12515 - 58
1010chain 'C' and (resid 126 through 177 )CE126 - 17759 - 110
1111chain 'C' and (resid 178 through 212 )CE178 - 212111 - 145
1212chain 'C' and (resid 213 through 227 )CE213 - 227146 - 160
1313chain 'C' and (resid 228 through 249 )CE228 - 249161 - 182
1414chain 'D' and (resid 59 through 109 )DG59 - 1091 - 41
1515chain 'D' and (resid 110 through 125 )DG110 - 12542 - 57
1616chain 'D' and (resid 126 through 160 )DG126 - 16058 - 92
1717chain 'D' and (resid 161 through 187 )DG161 - 18793 - 119
1818chain 'D' and (resid 188 through 212 )DG188 - 212120 - 144
1919chain 'D' and (resid 213 through 227 )DG213 - 227145 - 159
2020chain 'D' and (resid 228 through 248 )DG228 - 248160 - 180
2121chain 'E' and (resid 59 through 81 )EI59 - 811 - 13
2222chain 'E' and (resid 82 through 109 )EI82 - 10914 - 41
2323chain 'E' and (resid 110 through 138 )EI110 - 13842 - 70
2424chain 'E' and (resid 139 through 160 )EI139 - 16071 - 92
2525chain 'E' and (resid 161 through 177 )EI161 - 17793 - 109
2626chain 'E' and (resid 178 through 187 )EI178 - 187110 - 119
2727chain 'E' and (resid 188 through 212 )EI188 - 212120 - 144
2828chain 'E' and (resid 213 through 227 )EI213 - 227145 - 159
2929chain 'E' and (resid 228 through 238 )EI228 - 238160 - 170
3030chain 'E' and (resid 239 through 249 )EI239 - 249171 - 181
3131chain 'F' and (resid 59 through 81 )FK59 - 811 - 14
3232chain 'F' and (resid 82 through 109 )FK82 - 10915 - 42
3333chain 'F' and (resid 110 through 125 )FK110 - 12543 - 58
3434chain 'F' and (resid 126 through 160 )FK126 - 16059 - 93
3535chain 'F' and (resid 161 through 187 )FK161 - 18794 - 120
3636chain 'F' and (resid 188 through 212 )FK188 - 212121 - 145
3737chain 'F' and (resid 213 through 227 )FK213 - 227146 - 160
3838chain 'F' and (resid 228 through 238 )FK228 - 238161 - 171
3939chain 'F' and (resid 239 through 248 )FK239 - 248172 - 181
4040chain 'G' and (resid 57 through 81 )GM57 - 811 - 14
4141chain 'G' and (resid 82 through 92 )GM82 - 9215 - 25
4242chain 'G' and (resid 93 through 109 )GM93 - 10926 - 42
4343chain 'G' and (resid 110 through 138 )GM110 - 13843 - 71
4444chain 'G' and (resid 139 through 187 )GM139 - 18772 - 120
4545chain 'G' and (resid 188 through 213 )GM188 - 213121 - 146
4646chain 'G' and (resid 214 through 247 )GM214 - 247147 - 180
4747chain 'H' and (resid 58 through 81 )HO58 - 811 - 17
4848chain 'H' and (resid 82 through 109 )HO82 - 10918 - 45
4949chain 'H' and (resid 110 through 149 )HO110 - 14946 - 85
5050chain 'H' and (resid 150 through 177 )HO150 - 17786 - 113
5151chain 'H' and (resid 178 through 213 )HO178 - 213114 - 149
5252chain 'H' and (resid 214 through 249 )HO214 - 249150 - 185
5353chain 'I' and (resid 59 through 81 )IQ59 - 811 - 11
5454chain 'I' and (resid 82 through 138 )IQ82 - 13812 - 68
5555chain 'I' and (resid 139 through 177 )IQ139 - 17769 - 107
5656chain 'I' and (resid 178 through 212 )IQ178 - 212108 - 142
5757chain 'I' and (resid 213 through 227 )IQ213 - 227143 - 157
5858chain 'I' and (resid 228 through 248 )IQ228 - 248158 - 178
5959chain 'J' and (resid 58 through 92 )JS58 - 921 - 23
6060chain 'J' and (resid 93 through 109 )JS93 - 10924 - 40
6161chain 'J' and (resid 110 through 125 )JS110 - 12541 - 56
6262chain 'J' and (resid 126 through 138 )JS126 - 13857 - 69
6363chain 'J' and (resid 139 through 187 )JS139 - 18770 - 118
6464chain 'J' and (resid 188 through 213 )JS188 - 213119 - 144
6565chain 'J' and (resid 214 through 224 )JS214 - 224145 - 155
6666chain 'J' and (resid 225 through 238 )JS225 - 238156 - 169
6767chain 'J' and (resid 239 through 248 )JS239 - 248170 - 179
6868chain 'K' and (resid 59 through 81 )KU59 - 811 - 12
6969chain 'K' and (resid 82 through 109 )KU82 - 10913 - 40
7070chain 'K' and (resid 110 through 125 )KU110 - 12541 - 56
7171chain 'K' and (resid 126 through 160 )KU126 - 16057 - 91
7272chain 'K' and (resid 161 through 187 )KU161 - 18792 - 118
7373chain 'K' and (resid 188 through 213 )KU188 - 213119 - 144
7474chain 'K' and (resid 214 through 227 )KU214 - 227145 - 158
7575chain 'K' and (resid 228 through 238 )KU228 - 238159 - 169
7676chain 'K' and (resid 239 through 247 )KU239 - 247170 - 178
7777chain 'L' and (resid 59 through 92 )LW59 - 921 - 23
7878chain 'L' and (resid 93 through 109 )LW93 - 10924 - 40
7979chain 'L' and (resid 110 through 170 )LW110 - 17041 - 101
8080chain 'L' and (resid 171 through 213 )LW171 - 213102 - 144
8181chain 'L' and (resid 214 through 249 )LW214 - 249145 - 180
8282chain 'M' and (resid 58 through 109 )MY58 - 1091 - 44
8383chain 'M' and (resid 110 through 177 )MY110 - 17745 - 112
8484chain 'M' and (resid 178 through 212 )MY178 - 212113 - 147
8585chain 'M' and (resid 213 through 249 )MY213 - 249148 - 184
8686chain 'N' and (resid 57 through 81 )NAA57 - 811 - 15
8787chain 'N' and (resid 82 through 177 )NAA82 - 17716 - 111
8888chain 'N' and (resid 178 through 213 )NAA178 - 213112 - 147
8989chain 'N' and (resid 214 through 238 )NAA214 - 238148 - 172
9090chain 'N' and (resid 239 through 249 )NAA239 - 249173 - 183

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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

他の情報も見る