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- PDB-8xfd: Crystal structure of pyruvate kinase tetramer in complex with all... -

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基本情報

登録情報
データベース: PDB / ID: 8xfd
タイトルCrystal structure of pyruvate kinase tetramer in complex with allosteric activator, Mitapivat (MTPV, AG-348)
要素Isoform L-type of Pyruvate kinase PKLR
キーワードTRANSFERASE / pyruvate kinase / allosteric activator / Mitapivat / AG-348
機能・相同性
機能・相同性情報


pyruvate kinase complex / pyruvate biosynthetic process / SARS-CoV-1-host interactions / ChREBP activates metabolic gene expression / pyruvate kinase / pyruvate kinase activity / Pyruvate metabolism / monosaccharide binding / response to metal ion / Glycolysis ...pyruvate kinase complex / pyruvate biosynthetic process / SARS-CoV-1-host interactions / ChREBP activates metabolic gene expression / pyruvate kinase / pyruvate kinase activity / Pyruvate metabolism / monosaccharide binding / response to metal ion / Glycolysis / response to ATP / Regulation of gene expression in beta cells / potassium ion binding / response to glucose / response to cAMP / cellular response to epinephrine stimulus / response to nutrient / glycolytic process / cellular response to insulin stimulus / kinase activity / response to hypoxia / magnesium ion binding / extracellular exosome / ATP binding / cytosol / cytoplasm
類似検索 - 分子機能
Pyruvate kinase, active site / Pyruvate kinase active site signature. / Pyruvate kinase / Pyruvate kinase, barrel / Pyruvate kinase, insert domain superfamily / Pyruvate kinase, barrel domain / Pyruvate kinase, C-terminal / Pyruvate kinase, C-terminal domain superfamily / Pyruvate kinase, alpha/beta domain / Pyruvate kinase-like, insert domain superfamily ...Pyruvate kinase, active site / Pyruvate kinase active site signature. / Pyruvate kinase / Pyruvate kinase, barrel / Pyruvate kinase, insert domain superfamily / Pyruvate kinase, barrel domain / Pyruvate kinase, C-terminal / Pyruvate kinase, C-terminal domain superfamily / Pyruvate kinase, alpha/beta domain / Pyruvate kinase-like, insert domain superfamily / Pyruvate kinase-like domain superfamily / Pyruvate/Phosphoenolpyruvate kinase-like domain superfamily
類似検索 - ドメイン・相同性
1,6-di-O-phosphono-beta-D-fructofuranose / : / Pyruvate kinase PKLR
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: 2.1 Å
データ登録者Sun, R. / Achour, A.
資金援助1件
組織認可番号
Not funded
引用ジャーナル: Crystals / : 2024
タイトル: High Resolution Crystal Structure of the Pyruvate Kinase Tetramer in Complex with the Allosteric Activator Mitapivat/AG-348
著者: Han, X. / Sandalova, T. / Zhang, C. / Mardinoglu, A. / Achour, A. / Sun, R.
履歴
登録2023年12月13日登録サイト: PDBJ / 処理サイト: PDBJ
改定 1.02024年5月15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

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集合体

登録構造単位
A: Isoform L-type of Pyruvate kinase PKLR
B: Isoform L-type of Pyruvate kinase PKLR
C: Isoform L-type of Pyruvate kinase PKLR
D: Isoform L-type of Pyruvate kinase PKLR
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)236,61514
ポリマ-234,2574
非ポリマー2,35910
15,961886
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: 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)84.930, 86.962, 91.554
Angle α, β, γ (deg.)76.780, 66.880, 80.220
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID詳細
d_1ens_1(chain "A" and (resid 24 through 134 or resid 140 through 199 or resid 202 through 551))
d_2ens_1(chain "B" and (resid 24 through 134 or resid 140 through 199 or resid 202 through 551))
d_3ens_1(chain "C" and (resid 24 through 134 or resid 140 through 551))
d_4ens_1(chain "D" and (resid 24 through 134 or resid 140 through 199 or resid 202 through 551))

NCSドメイン領域:

Ens-ID: ens_1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11GLNGLNLEULEUAA24 - 13426 - 136
d_12SERSERGLYGLYAA140 - 199142 - 201
d_13GLYGLYILEILEAA202 - 540204 - 542
d_14MGMGMGMGAE601
d_15FBPFBPFBPFBPAF602
d_21GLNGLNLEULEUBB24 - 13426 - 136
d_22SERSERGLYGLYBB140 - 199142 - 201
d_23GLYGLYILEILEBB202 - 540204 - 542
d_24MGMGMGMGBG601
d_25FBPFBPFBPFBPBH602
d_31GLNGLNLEULEUCC24 - 13426 - 136
d_32SERSERILEILECC140 - 540142 - 542
d_33MGMGMGMGCJ601
d_34FBPFBPFBPFBPCK602
d_41GLNGLNLEULEUDD24 - 13426 - 136
d_42SERSERGLYGLYDD140 - 199142 - 201
d_43GLYGLYILEILEDD202 - 540204 - 542
d_44MGMGMGMGDL601
d_45FBPFBPFBPFBPDM602

NCS oper:
IDCodeMatrixベクター
1given(-0.478615601668, -0.739065009867, 0.474035881585), (-0.761549487357, 0.0807177066945, -0.643060673756), (0.437000553942, -0.668780653889, -0.601467333143)12.7309671947, 31.9125162745, 38.9859807156
2given(-0.185761493484, 0.869907660122, 0.456895316675), (0.849742914247, -0.091260358623, 0.519238410204), (0.493385900919, 0.484698060451, -0.722245209724)6.97902378361, -29.3272866165, 40.8505531515
3given(-0.313329131558, -0.0601518815311, -0.94773762533), (-0.17004752609, -0.978307884475, 0.118311123928), (-0.934295827984, 0.198230760283, 0.296303681195)50.5208059769, 0.516456954915, 35.654183956

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要素

#1: タンパク質
Isoform L-type of Pyruvate kinase PKLR / Pyruvate kinase 1 / Pyruvate kinase isozymes L/R / R-type/L-type pyruvate kinase / Red cell/liver ...Pyruvate kinase 1 / Pyruvate kinase isozymes L/R / R-type/L-type pyruvate kinase / Red cell/liver pyruvate kinase


分子量: 58564.160 Da / 分子数: 4 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: PKLR, PK1, PKL / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: P30613, pyruvate kinase
#2: 化合物
ChemComp-MG / MAGNESIUM ION / マグネシウムジカチオン


分子量: 24.305 Da / 分子数: 4 / 由来タイプ: 合成 / : Mg
#3: 糖
ChemComp-FBP / 1,6-di-O-phosphono-beta-D-fructofuranose / BETA-FRUCTOSE-1,6-DIPHOSPHATE / FRUCTOSE-1,6-BISPHOSPHATE / 1,6-di-O-phosphono-beta-D-fructose / 1,6-di-O-phosphono-D-fructose / 1,6-di-O-phosphono-fructose / β-D-フルクトフラノ-ス1,6-ビスりん酸


タイプ: D-saccharide, beta linking / 分子量: 340.116 Da / 分子数: 4 / 由来タイプ: 合成 / : C6H14O12P2
識別子タイププログラム
b-D-Fruf1PO36PO3IUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
#4: 化合物 ChemComp-WV2 / mitapivat / N-{4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl}quinoline-8-sulfonamide


分子量: 450.553 Da / 分子数: 2 / 由来タイプ: 天然 / : C24H26N4O3S
#5: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 886 / 由来タイプ: 天然 / : H2O
研究の焦点であるリガンドがあるかN

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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: 2.32 Å3/Da / 溶媒含有率: 47 %
結晶化温度: 293.15 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 7
詳細: 0.2M Magnesium formate dihydrate, 20% w/v Polyethylene glycol 3350

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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: ESRF / ビームライン: ID30B / 波長: 0.9655 Å
検出器タイプ: DECTRIS PILATUS3 2M / 検出器: PIXEL / 日付: 2022年11月17日
放射プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長波長: 0.9655 Å / 相対比: 1
反射解像度: 2.1→84.32 Å / Num. obs: 131759 / % possible obs: 96.6 % / 冗長度: 2 % / Biso Wilson estimate: 20.73 Å2 / CC1/2: 0.965 / Rmerge(I) obs: 0.054 / Rpim(I) all: 0.054 / Rrim(I) all: 0.076 / Χ2: 0.52 / Net I/σ(I): 7.4
反射 シェル解像度: 2.1→2.14 Å / Rmerge(I) obs: 0.102 / Mean I/σ(I) obs: 4.6 / Num. unique obs: 6456 / CC1/2: 0.963 / Rpim(I) all: 0.102 / Rrim(I) all: 0.145 / Χ2: 0.54 / % possible all: 94.8

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解析

ソフトウェア
名称バージョン分類
PHENIX1.20.1_4487精密化
autoPROCdata processing
autoPROCデータ削減
Aimlessデータスケーリング
PHASER位相決定
Cootモデル構築
精密化構造決定の手法: 分子置換 / 解像度: 2.1→54.43 Å / SU ML: 0.2859 / 交差検証法: FREE R-VALUE / σ(F): 1.98 / 位相誤差: 29.4174
立体化学のターゲット値: GeoStd + Monomer Library + CDL v1.2
Rfactor反射数%反射
Rfree0.2653 6502 4.94 %
Rwork0.2317 125103 -
obs0.2333 131605 96.5 %
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 mean: 30.32 Å2
精密化ステップサイクル: LAST / 解像度: 2.1→54.43 Å
タンパク質核酸リガンド溶媒全体
原子数15587 0 148 886 16621
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.008415990
X-RAY DIFFRACTIONf_angle_d121697
X-RAY DIFFRACTIONf_chiral_restr0.05682525
X-RAY DIFFRACTIONf_plane_restr0.022871
X-RAY DIFFRACTIONf_dihedral_angle_d23.112352
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDタイプRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS1.55226141995
ens_1d_3AAX-RAY DIFFRACTIONTorsion NCS1.93822645314
ens_1d_4AAX-RAY DIFFRACTIONTorsion NCS2.07654377599
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.1-2.120.31352230.26464165X-RAY DIFFRACTION95.14
2.12-2.150.32362010.24824017X-RAY DIFFRACTION95.02
2.15-2.180.30362320.25314232X-RAY DIFFRACTION95.06
2.18-2.20.2971900.24484037X-RAY DIFFRACTION95.96
2.2-2.230.28252170.24674191X-RAY DIFFRACTION95.54
2.23-2.260.29052220.25124059X-RAY DIFFRACTION93.92
2.26-2.290.29622380.2534118X-RAY DIFFRACTION95.69
2.29-2.330.35611960.24644118X-RAY DIFFRACTION96.19
2.33-2.370.29652130.24634124X-RAY DIFFRACTION94.9
2.37-2.40.28872000.24214108X-RAY DIFFRACTION95.12
2.4-2.450.29922200.24354117X-RAY DIFFRACTION96.08
2.45-2.490.29492050.24684153X-RAY DIFFRACTION94.9
2.49-2.540.31272020.25334077X-RAY DIFFRACTION94.88
2.54-2.590.29531830.25384226X-RAY DIFFRACTION96.92
2.59-2.650.30662170.25254262X-RAY DIFFRACTION97.1
2.65-2.710.30132160.25624095X-RAY DIFFRACTION95.86
2.71-2.780.28242310.2514181X-RAY DIFFRACTION96.67
2.78-2.850.30042230.24654210X-RAY DIFFRACTION97.51
2.85-2.930.2562470.24354174X-RAY DIFFRACTION97.25
2.93-3.030.29272010.2424202X-RAY DIFFRACTION97.58
3.03-3.140.30842300.25044208X-RAY DIFFRACTION97.39
3.14-3.260.28222030.25154241X-RAY DIFFRACTION97.2
3.26-3.410.26462210.23934186X-RAY DIFFRACTION97.26
3.41-3.590.24732550.21814176X-RAY DIFFRACTION97.64
3.59-3.820.25772350.22424243X-RAY DIFFRACTION98.18
3.82-4.110.23221920.21514269X-RAY DIFFRACTION98.13
4.11-4.520.19712090.19994238X-RAY DIFFRACTION98.38
4.52-5.180.22332350.2024218X-RAY DIFFRACTION98.37
5.18-6.520.25892260.21944273X-RAY DIFFRACTION98.25
6.52-54.430.17852190.1854185X-RAY DIFFRACTION97.22
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)
10.2260249165280.094465424158-0.4438412245970.845692259008-0.1005987954192.13924728211-0.00309959610623-0.004308105057930.10223015413-0.0385557586392-0.0884023280237-0.160913088306-0.1335710333450.2901649801740.09067879581690.17087177267-0.0110490461993-0.02742107753680.3907877127510.1356278516920.24569360304412.59920.582-0.486
23.32614463319-0.879720795074-1.782217483534.141996492451.177688708066.044100328870.09998959694170.1997364243851.07934473101-0.6283680315130.0438739773002-0.430436149786-1.189204397250.650176863617-0.1525839773250.377788644631-0.143231425528-0.07177925593330.3638935450290.1065008969350.604745155314-21.32624.251-3.811
35.202347096841.06232489726-0.8522822111575.83860769879-0.008581521860384.79001377508-0.05393357235390.2104080343070.622882902147-0.030709381183-0.05379908159520.164641617953-0.4019612740740.05474314585850.09053752626320.151895563589-0.0157369039368-0.04652224486990.169112732365-0.02826036789530.231173527114-25.65916.3251.832
48.35593378678-1.32768764654-7.734016264973.969414211373.722595793978.81275626333-0.9703661908260.177324657407-0.830035502563-0.08635735611340.158208879437-0.252380584360.907958977656-0.1418902394460.8049432478960.293511412347-0.04384062930630.05379010888490.4421905754770.05285940558110.557485646537-13.6253.426-5.954
52.148360651482.23878331135-0.4571103215485.4191366914-2.375625685275.71623398034-0.1128310215130.635300580377-0.0258665483132-0.3721239874430.1204101817520.325349064270.219401487556-0.26288078181-0.0002182033064130.1486949562190.0487963348608-0.017780726240.255353323138-0.01119442107430.170023024878-1.2116.162-10.471
61.302219587060.0956074651740.0380617550461.921592692890.1724050320061.31471195341-0.009485367898110.107943514813-0.0055083483302-0.0940785493302-0.132098622653-0.1294432935110.01229538028620.2949011712650.1216286994110.1142757110250.009889568442459.42437411862E-50.2216345862230.04189508131230.09259230310014.60613.5676.873
78.91215668842-7.38768736829-9.729393850338.003232468868.250103836472.00303955192-0.4726781686210.284962038697-0.1546376607930.6797331338570.01140260102060.4208729195580.729009736804-0.3741767304990.4381785522920.300753700296-0.0922710920447-0.05779631214650.4060131920320.1109834142610.27842885716920.844-6.9759.268
83.35872318052-1.23981373710.6389885606242.017012867410.4640220713220.4514254882870.0636835942210.03385627452720.0546994479138-0.007117794252840.1465471095790.104527626994-0.0807349721617-0.456618010133-0.1892153560590.13223982474-0.0090228382624-0.01236792049610.2891912723620.07560235914150.13876574637825.8816.922-1.488
92.118411492220.1933257315430.5589023586757.86333654244-0.097135984331.78272703854-0.08784700612670.124119381160.187462461038-0.0288560694510.17004372418-0.191011355724-0.1320608477050.0952451137021-0.08086012190420.09714587931780.01514899041130.01105013826490.2277517937510.009990663081260.088765353404133.158.177-0.284
101.19204809087-0.50271575044-0.9635524402541.838315443431.044495072321.623094314860.0610013930224-0.02853031280860.08695710193020.117648492887-0.1237412095410.222309716622-0.2564323609490.03725614710460.06872892364810.300733931891-0.0213148216389-0.03021690967490.127177944363-0.005617631222550.122649756824-9.74223.22931.105
111.85276778898-1.216197259940.09253195498712.96109405303-1.222514010671.53007065732-0.195690620740.5341449345130.571070113719-0.312321371028-0.0864964697106-0.206806951757-0.4336340215840.05816520930260.2887865147410.615711958974-0.237920851487-0.1065197552090.4730998945140.06176767634430.3824397553194.37253.45818.478
124.94853628061-1.728146176240.0381512358042.92172644832-1.711109668142.403894510530.03163117156370.2543816782530.47017233118-0.554682273531-0.0441921124659-0.267118065033-0.2329697724680.1362882069150.000232068831410.726270088966-0.2414299417890.0382717837290.3652649682380.005055238099910.32672565735415.18451.40417.015
132.000426503810.505064744438-8.401522718390.663436393604-1.993011605242.000420226650.437642404317-0.494643592210.6213839641880.224952606921-0.177071652294-0.486913916228-0.5708759814710.303327340284-0.2593864574590.820605464435-0.3879595000020.1276657476610.7103975551020.01414383314240.530107349229.58147.04636.509
140.7971775607390.5996235609820.3731972833990.4534670107870.2772897432630.1726965551650.0917877344705-0.2185968081120.3276006302680.263091277653-0.0307716457548-0.0675270989689-0.2740363076030.109378644714-0.02431150241550.764183483558-0.555665959138-0.1173898516640.298146239588-0.12488774120.2168933412383.09640.1241.346
150.7811402089020.08184553071090.2620482618930.8049630325090.2517276838921.288093520670.0486338427752-0.09302276245440.04184577934510.214129621985-0.263684856677-0.172576454253-0.4060987101990.3181279107290.1754599685610.247613691129-0.143754027491-0.07937404668150.2531534151390.0500089691810.1761263312742.65925.58926.042
164.163042335510.9003313670444.993754429541.717813888833.107030518688.701983589610.1591653699130.143865948599-0.03948529312980.480401403944-0.155642737685-0.4738355959570.6167956238140.865617624133-0.002153467420710.301051968989-0.0584024139433-0.05113756348590.4308445715720.1451157227870.26146298062312.6277.32836.917
171.10028021876-0.287152369133-0.0629692274913.039846178040.09305180790922.52441929502-0.0342162635629-0.08684240801810.1195425864740.0722473255346-0.0816179435668-0.0467471056748-0.1944079038030.3454578849190.1101490614640.139815478763-0.0535522771414-0.04195560853830.1528199822670.02507720172550.119490674005-4.01813.71146.943
181.64648514812-0.2356221514150.7590214606792.101981913411.477392813515.00057206898-0.117200476994-0.0565074377577-0.06434431370550.0450726962336-0.1761091728350.3156464700010.1048395378350.1926281627940.2906280889570.143863410042-0.03924152091550.02900572083350.1213765742520.03245165752160.206907162348-8.8447.7948.764
190.7060916296210.27580237557-0.3055748966160.29597624869-0.1449571641330.542357993996-0.00939438308598-0.293292081753-0.0247673332470.008968045434580.3519692034980.08479937774380.0464303760638-0.24390778439-0.2533905039340.2222091813620.0437972617673-0.1012618817220.5438272621710.2613315389160.29811282169722.53-22.33457.047
203.036000880870.723710970978-1.8652894981.6065131073-1.277125422851.6262618708-0.09264517844730.176005208223-0.427935506763-0.242736686680.2841252791270.03496454273030.398710411667-0.131523318951-0.1804006780890.567721146548-0.05346913109-0.1550738477320.391113223591-0.07649572585710.87064906690232.545-54.76936.074
214.864878538931.48295149043-0.8745597039085.789327223750.3225024290122.1077893771-0.2181099904350.0676905486793-1.15735423101-0.4093789461770.5834920781750.2492162648540.857891976092-0.510565988215-0.3509713034140.741025900738-0.257904928827-0.1497912365850.5141961993810.1732887955840.73004518681520.799-55.61536.097
222.59824788871-1.0868381424-1.393838539951.59569055685-0.5532567346341.875655733030.1748036553370.205094478049-0.4659134541410.0401523376867-0.0680943952383-0.1425953790640.29499708359-0.309368806228-0.1000616537590.556800081137-0.257256950308-0.1922883902170.4793263869340.07427646808420.65683371303628.169-48.26133.783
233.349068301711.05534275058-5.025216034791.44236859907-2.432470824979.52803002328-0.3345903031270.343490643718-0.0929296017358-0.4296445494940.3751042386160.3340029082460.712258407143-0.834301147583-0.05970758775830.368815697869-0.155693188116-0.1625919594390.5873486975170.2714244653110.52628622087610.877-42.94545.656
240.2976076679650.02275604309780.05176487565440.2058639750030.5227762074651.32347191727-0.08040327243310.042698677052-0.0281017163716-0.0851276110180.09813526402490.2251645809320.15754273789-0.255170373443-0.04069111698670.206439848889-0.281083052613-0.02104667721970.608451109460.5382011541640.4377150488558.867-34.45249.783
250.5927010027551.268209254360.165878402044.70979305162.330045759541.995003883020.0472278766323-0.06764222856960.006122251727520.2500975044160.1588255921550.7800265681870.171981184771-0.808053103037-0.2244178049270.326182296741-0.0652607385815-0.02710167041390.9166233409590.5003920879720.7353845994850.333-33.54254.448
260.5271255292230.128366505593-0.2953743480180.4985860052480.3644347131880.8726703450990.0887437136892-0.03456891947180.0113519551327-0.1716592249130.4462767090770.101438542081-0.0116713921272-0.410335894636-0.2785887071340.199248002942-0.0694853411485-0.1359432718210.4965246064760.3449804358060.2566614438722.991-22.08344.651
271.83309350078-0.9072923897780.6424869561772.23527293204-0.7160951031920.597110951190.00903422218124-0.330965763591-0.06140750824430.0756870350594-0.178700598395-0.1906633917410.02165086868540.3026054771130.1640168932220.1964237195480.005756342824460.007449169512570.4971067658840.2134831248720.3235541773416.605-6.76657.281
281.39543458970.0128080173231-0.08150914994660.856585221091-0.1421276902641.085833592140.07586096194750.0599037077087-0.202841863578-0.2303540150810.1314424275240.07317931888840.367867647897-0.194344218376-0.192880089810.352811474816-0.0781260647662-0.03667932167960.1283543614730.01257130581760.18831249048945.839-22.30727.323
298.960380259771.77419618778-4.331289834196.78513033214-4.88050397794.612093508560.0360250711077-0.752680737479-0.797157057327-0.0648262207424-0.153286127754-0.1153544662390.6448227384310.5282588909420.1455614996970.3278638167090.0135850812708-0.007682936607870.41331261348-0.02401297443640.28091713066561.157-20.07362.832
301.60166561018-0.01225078854940.4861862621543.8270487139-0.04477312074064.30002445560.0503326331728-1.094932216660.1498557202020.626296659484-0.1374126287710.0143319278449-0.362185108074-0.155891367380.1023051707120.331632788813-0.0391303649912-0.01198703769320.655795116267-0.08185578728240.27378589253456.126-8.19462.686
316.694756208011.767684895520.3272793244329.283479981210.996977346226.448745141870.210903564361-0.5504505686830.3058356003730.611015204568-0.135655052682-0.474046835904-0.0839821972210.548252020161-0.06526961203720.138848695647-0.0486409468672-0.06254636461580.221607504644-0.06821859567440.26234301879265.774-8.78940.469
322.1567035541-2.67262895562-1.452832801945.067879033133.358924196413.961425973230.009152897144510.03141984642920.538366690779-0.199011344073-0.130363190773-0.261073043038-0.393231531550.1220345444390.04808005742780.22161936888-0.0305996020615-0.02810109855170.105521107488-0.05027949666170.2267308600260.029-6.30933.119
332.0712223396-0.127005810324-0.2931362715411.63834099487-0.01572290039821.64547064569-0.02987692604-0.05006023226790.0726114453059-0.05048818099380.1619215729090.0568001780560.142013912548-0.200985934808-0.1246734417280.128166183744-0.0279672052047-0.02477778585890.1196033275060.01230724024340.12015729371841.271-15.02137.048
346.567151496476.99802447143-4.269088690659.96022470019-0.09715242117881.999977753210.2578979920520.3049770586590.625008658762-0.2449511413910.2706302979490.8934154782-0.490882303987-0.701287252553-0.5117368313680.1850010816050.03702433741650.01333053493720.4633134341250.1302908831150.26181802068927.446-2.52325.064
353.409475807010.3517198824220.4694320543762.02430867753-1.097974256881.4978848136-0.009749573237150.0666630471756-0.231346977242-0.2122989245250.1149577715350.1200440617990.285342793457-0.213915258323-0.09033417799950.18610963127-0.0428304320289-0.04518593072560.1460127636490.005378749920660.12734483083742.539-9.82112.525
363.106323743860.262215190521-0.4571904843683.920156993970.5360019749572.555022581460.01547154987420.0172449735432-0.480529521267-0.2258268766380.07522977409190.2755471413370.562495718111-0.195767355338-0.04809383404620.252363407926-0.0236032675346-0.04407621966660.1477834888950.05669859032360.20262298273939.184-8.4946.026
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 24:127 )A24 - 127
2X-RAY DIFFRACTION2( CHAIN A AND RESID 128:146 )A128 - 146
3X-RAY DIFFRACTION3( CHAIN A AND RESID 147:224 )A147 - 224
4X-RAY DIFFRACTION4( CHAIN A AND RESID 225:233 )A225 - 233
5X-RAY DIFFRACTION5( CHAIN A AND RESID 234:265 )A234 - 265
6X-RAY DIFFRACTION6( CHAIN A AND RESID 266:408 )A266 - 408
7X-RAY DIFFRACTION7( CHAIN A AND RESID 409:420 )A409 - 420
8X-RAY DIFFRACTION8( CHAIN A AND RESID 421:499 )A421 - 499
9X-RAY DIFFRACTION9( CHAIN A AND RESID 500:540 )A500 - 540
10X-RAY DIFFRACTION10( CHAIN B AND RESID 24:123 )B24 - 123
11X-RAY DIFFRACTION11( CHAIN B AND RESID 124:145 )B124 - 145
12X-RAY DIFFRACTION12( CHAIN B AND RESID 146:227 )B146 - 227
13X-RAY DIFFRACTION13( CHAIN B AND RESID 228:233 )B228 - 233
14X-RAY DIFFRACTION14( CHAIN B AND RESID 234:272 )B234 - 272
15X-RAY DIFFRACTION15( CHAIN B AND RESID 273:401 )B273 - 401
16X-RAY DIFFRACTION16( CHAIN B AND RESID 402:415 )B402 - 415
17X-RAY DIFFRACTION17( CHAIN B AND RESID 416:498 )B416 - 498
18X-RAY DIFFRACTION18( CHAIN B AND RESID 499:540 )B499 - 540
19X-RAY DIFFRACTION19( CHAIN C AND RESID 24:134 )C24 - 134
20X-RAY DIFFRACTION20( CHAIN C AND RESID 139:154 )C139 - 154
21X-RAY DIFFRACTION21( CHAIN C AND RESID 155:181 )C155 - 181
22X-RAY DIFFRACTION22( CHAIN C AND RESID 182:221 )C182 - 221
23X-RAY DIFFRACTION23( CHAIN C AND RESID 222:240 )C222 - 240
24X-RAY DIFFRACTION24( CHAIN C AND RESID 241:265 )C241 - 265
25X-RAY DIFFRACTION25( CHAIN C AND RESID 266:274 )C266 - 274
26X-RAY DIFFRACTION26( CHAIN C AND RESID 275:409 )C275 - 409
27X-RAY DIFFRACTION27( CHAIN C AND RESID 410:540 )C410 - 540
28X-RAY DIFFRACTION28( CHAIN D AND RESID 24:128 )D24 - 128
29X-RAY DIFFRACTION29( CHAIN D AND RESID 129:145 )D129 - 145
30X-RAY DIFFRACTION30( CHAIN D AND RESID 146:229 )D146 - 229
31X-RAY DIFFRACTION31( CHAIN D AND RESID 230:238 )D230 - 238
32X-RAY DIFFRACTION32( CHAIN D AND RESID 239:273 )D239 - 273
33X-RAY DIFFRACTION33( CHAIN D AND RESID 274:402 )D274 - 402
34X-RAY DIFFRACTION34( CHAIN D AND RESID 403:409 )D403 - 409
35X-RAY DIFFRACTION35( CHAIN D AND RESID 410:511 )D410 - 511
36X-RAY DIFFRACTION36( CHAIN D AND RESID 512:540 )D512 - 540

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万見について

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お知らせ

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

EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

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

関連情報:EMDBヘッダ

外部リンク:wwPDBはEMDBデータモデルのバージョン3へ移行します

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2020年8月12日: 新型コロナ情報

新型コロナ情報

URL: https://pdbjlc1.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