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- PDB-9bw8: Structure of P450Blt from Micromonospora sp. MW-13 in Complex wit... -

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基本情報

登録情報
データベース: PDB / ID: 9bw8
タイトルStructure of P450Blt from Micromonospora sp. MW-13 in Complex with Fluorinated Biarylitide
要素
  • Cytochrome P450-SU1
  • Fluorinated Biarylitide
キーワードOXIDOREDUCTASE / complex / biarylitide / crosslink
機能・相同性
機能・相同性情報


酸化還元酵素; 電子対供与作用を持つ; 分子酸素を取り込むないしは分子酸素を還元する / oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen / monooxygenase activity / iron ion binding / heme binding
類似検索 - 分子機能
Cytochrome P450, B-class / Cytochrome P450, conserved site / Cytochrome P450 cysteine heme-iron ligand signature. / Cytochrome P450 / Cytochrome P450 superfamily / Cytochrome P450
類似検索 - ドメイン・相同性
PROTOPORPHYRIN IX CONTAINING FE / trifluoroacetic acid / Cytochrome P450-SU1
類似検索 - 構成要素
生物種Micromonospora sp. MW-13 (バクテリア)
synthetic construct (人工物)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 1.86 Å
データ登録者Hansen, M.H. / Cryle, M.J. / Zhao, Y.
資金援助 オーストラリア, 2件
組織認可番号
Australian Research Council (ARC)DP190101272 オーストラリア
Australian Research Council (ARC)DP210101752 オーストラリア
引用ジャーナル: Chem.Commun.(Camb.) / : 2024
タイトル: Loss of fluorine during crosslinking by the biarylitide P450 Blt proceeds due to restricted peptide orientation.
著者: Zhao, Y. / Gullick, J. / Hansen, M.H. / Coe, L. / Treisman, M. / Schittenhelm, R.B. / McKay, A. / Murray, L.A.M. / Tailhades, J. / De Voss, J.J. / Krenske, E.H. / Cryle, M.J.
履歴
登録2024年5月21日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02024年11月20日Provider: repository / タイプ: Initial release
改定 1.12024年11月27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.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID

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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: Cytochrome P450-SU1
B: Cytochrome P450-SU1
C: Cytochrome P450-SU1
E: Fluorinated Biarylitide
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)139,17813
ポリマ-136,7364
非ポリマー2,4439
7,819434
1
A: Cytochrome P450-SU1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)46,2005
ポリマ-45,3321
非ポリマー8684
181
タイプ名称対称操作
identity operation1_555x,y,z1
2
B: Cytochrome P450-SU1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)46,1774
ポリマ-45,3321
非ポリマー8453
181
タイプ名称対称操作
identity operation1_555x,y,z1
3
C: Cytochrome P450-SU1
E: Fluorinated Biarylitide
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)46,8024
ポリマ-46,0712
非ポリマー7312
362
タイプ名称対称操作
identity operation1_555x,y,z1
単位格子
Length a, b, c (Å)63.915, 94.152, 105.003
Angle α, β, γ (deg.)90.000, 91.770, 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
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 14 through 32 or resid 34...
d_2ens_1(chain "B" and (resid 14 through 32 or resid 34...
d_3ens_1(chain "C" and (resid 14 through 32 or resid 34...

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_11TYRTYRLEULEUAA14 - 3235 - 53
d_12GLUGLUVALVALAA34 - 3855 - 59
d_13TRPTRPCYSCYSAA40 - 5561 - 76
d_14GLNGLNVALVALAA57 - 8378 - 104
d_15SERSERVALVALAA85 - 110106 - 131
d_16GLNGLNALAALAAA112 - 123133 - 144
d_17LEULEUGLYGLYAA125 - 127146 - 148
d_18PROPROGLNGLNAA129 - 163150 - 184
d_19SERSERVALVALAA165 - 169186 - 190
d_110SERSERGLUGLUAA171 - 204192 - 225
d_111GLYGLYVALVALAA206 - 252227 - 273
d_112HISHISALAALAAA254 - 296275 - 317
d_113LEULEUARGARGAA298 - 329319 - 350
d_114ARGARGGLYGLYAA331 - 338352 - 359
d_115GLYGLYLEULEUAA340 - 366361 - 387
d_116LEULEUVALVALAA368 - 392389 - 413
d_117TFATFATFATFAAE401
d_21TYRTYRLEULEUBB14 - 3235 - 53
d_22GLUGLUVALVALBB34 - 3855 - 59
d_23TRPTRPCYSCYSBB40 - 5561 - 76
d_24GLNGLNVALVALBB57 - 8378 - 104
d_25SERSERVALVALBB85 - 110106 - 131
d_26GLNGLNALAALABB112 - 123133 - 144
d_27LEULEUGLYGLYBB125 - 127146 - 148
d_28PROPROGLNGLNBB129 - 163150 - 184
d_29SERSERVALVALBB165 - 169186 - 190
d_210SERSERGLUGLUBB171 - 204192 - 225
d_211GLYGLYALAALABB206 - 215227 - 236
d_212VALVALVALVALBB220 - 252241 - 273
d_213HISHISALAALABB254 - 296275 - 317
d_214LEULEUARGARGBB298 - 329319 - 350
d_215ARGARGGLYGLYBB331 - 338352 - 359
d_216GLYGLYLEULEUBB340 - 366361 - 387
d_217LEULEUVALVALBB368 - 392389 - 413
d_218TFATFATFATFABI401
d_31TYRTYRLEULEUCC14 - 3235 - 53
d_32GLUGLUVALVALCC34 - 3855 - 59
d_33TRPTRPCYSCYSCC40 - 5561 - 76
d_34GLNGLNVALVALCC57 - 8378 - 104
d_35SERSERVALVALCC85 - 110106 - 131
d_36GLNGLNALAALACC112 - 123133 - 144
d_37LEULEUGLYGLYCC125 - 127146 - 148
d_38PROPROGLNGLNCC129 - 163150 - 184
d_39SERSERVALVALCC165 - 169186 - 190
d_310SERSERGLUGLUCC171 - 204192 - 225
d_311GLYGLYALAALACC206 - 215227 - 236
d_312VALVALVALVALCC220 - 252241 - 273
d_313HISHISALAALACC254 - 296275 - 317
d_314LEULEUARGARGCC298 - 329319 - 350
d_315ARGARGGLYGLYCC331 - 338352 - 359
d_316GLYGLYLEULEUCC340 - 366361 - 387
d_317LEULEUVALVALCC368 - 392389 - 413
d_318TFATFATFATFACL401

NCS oper:
IDCodeMatrixベクター
1given(0.492878145343, -0.867342157979, 0.0692005407227), (-0.869746741956, -0.493379093848, 0.0108477928914), (0.0247333519798, -0.0655335848765, -0.99754378879)3.75248972659, 23.0101758313, 34.5349810128
2given(0.518231151796, 0.855108993217, 0.0150027673258), (0.854989908727, -0.518424233986, 0.0151185181216), (0.0207057789684, 0.00499232760691, -0.99977314796)-29.533173325, -61.0372331973, 68.555160343

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要素

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タンパク質 / タンパク質・ペプチド , 2種, 4分子 ABCE

#1: タンパク質 Cytochrome P450-SU1


分子量: 45332.273 Da / 分子数: 3 / 由来タイプ: 組換発現
由来: (組換発現) Micromonospora sp. MW-13 (バクテリア)
遺伝子: C5N14_21030 / 発現宿主: Escherichia coli BL21(DE3) (大腸菌) / 参照: UniProt: A0A3E2YLT4
#2: タンパク質・ペプチド Fluorinated Biarylitide


分子量: 738.873 Da / 分子数: 1 / 由来タイプ: 合成 / 由来: (合成) synthetic construct (人工物)

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非ポリマー , 4種, 443分子

#3: 化合物
ChemComp-TFA / trifluoroacetic acid / トリフルオロ酢酸


分子量: 114.023 Da / 分子数: 5 / 由来タイプ: 天然 / : C2HF3O2
#4: 化合物 ChemComp-HEM / PROTOPORPHYRIN IX CONTAINING FE / HEME


分子量: 616.487 Da / 分子数: 3 / 由来タイプ: 天然 / : C34H32FeN4O4
#5: 化合物 ChemComp-NA / SODIUM ION / ナトリウムカチオン


分子量: 22.990 Da / 分子数: 1 / 由来タイプ: 天然 / : Na
#6: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 434 / 由来タイプ: 天然 / : H2O

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詳細

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: 2.31 Å3/Da / 溶媒含有率: 46.74 %
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: 6.5 / 詳細: 0.1 M MES pH 6.5, 12% PEG400 and 14% PEG 20K

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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: Australian Synchrotron / ビームライン: MX2 / 波長: 0.95373 Å
検出器タイプ: DECTRIS EIGER X 16M / 検出器: PIXEL / 日付: 2021年11月15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: 0.95373 Å / 相対比: 1
反射解像度: 1.858→46.73 Å / Num. obs: 103651 / % possible obs: 98.92 % / 冗長度: 3.9 % / Biso Wilson estimate: 33.03 Å2 / CC1/2: 0.999 / CC star: 1 / Rmerge(I) obs: 0.05374 / Rpim(I) all: 0.03053 / Net I/σ(I): 11.17
反射 シェル解像度: 1.858→1.924 Å / 冗長度: 3.9 % / Rmerge(I) obs: 0.7746 / Mean I/σ(I) obs: 1.83 / Num. unique obs: 10268 / CC1/2: 0.712 / CC star: 0.912 / Rpim(I) all: 0.4483 / % possible all: 97.99

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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
Aimlessデータスケーリング
XDSデータ削減
PHENIX位相決定
精密化構造決定の手法: 分子置換 / 解像度: 1.86→46.73 Å / SU ML: 0.2524 / 交差検証法: FREE R-VALUE / σ(F): 1.33 / 位相誤差: 23.3233
立体化学のターゲット値: GeoStd + Monomer Library + CDL v1.2
Rfactor反射数%反射
Rfree0.2071 5168 4.99 %
Rwork0.1785 98424 -
obs0.18 103592 98.93 %
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: 45.49 Å2
精密化ステップサイクル: LAST / 解像度: 1.86→46.73 Å
タンパク質核酸リガンド溶媒全体
原子数8679 0 216 434 9329
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.0129184
X-RAY DIFFRACTIONf_angle_d1.271312584
X-RAY DIFFRACTIONf_chiral_restr0.06681391
X-RAY DIFFRACTIONf_plane_restr0.01381676
X-RAY DIFFRACTIONf_dihedral_angle_d12.32143354
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDタイプRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS0.599273252711
ens_1d_3AAX-RAY DIFFRACTIONTorsion NCS0.541240235624
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.86-1.880.40381530.38733279X-RAY DIFFRACTION97.81
1.88-1.90.38051500.35363214X-RAY DIFFRACTION98.13
1.9-1.920.38861570.3213290X-RAY DIFFRACTION98.04
1.92-1.950.32441590.30183225X-RAY DIFFRACTION98.14
1.95-1.970.3161800.26933214X-RAY DIFFRACTION98.32
1.97-20.25711570.25023293X-RAY DIFFRACTION98.52
2-2.030.24321620.2283255X-RAY DIFFRACTION98.36
2.03-2.060.24931730.2133263X-RAY DIFFRACTION98.4
2.06-2.090.22441870.1853275X-RAY DIFFRACTION98.72
2.09-2.130.20031930.18953170X-RAY DIFFRACTION98.59
2.13-2.160.24331650.18113274X-RAY DIFFRACTION98.71
2.16-2.20.22951840.18283300X-RAY DIFFRACTION98.75
2.2-2.240.24061720.18033231X-RAY DIFFRACTION98.9
2.24-2.290.20431510.17583322X-RAY DIFFRACTION98.92
2.29-2.340.21841500.17433266X-RAY DIFFRACTION98.96
2.34-2.390.19421580.17743303X-RAY DIFFRACTION99
2.39-2.450.22561640.17743295X-RAY DIFFRACTION99.03
2.45-2.520.20151720.17763255X-RAY DIFFRACTION99.22
2.52-2.60.1881730.16733291X-RAY DIFFRACTION99.26
2.6-2.680.21051690.16223295X-RAY DIFFRACTION99.28
2.68-2.770.20131740.17233330X-RAY DIFFRACTION99.38
2.77-2.890.21311570.18333287X-RAY DIFFRACTION99.28
2.89-3.020.22061990.19493255X-RAY DIFFRACTION99.34
3.02-3.180.23751830.1983306X-RAY DIFFRACTION99.37
3.18-3.380.20941740.17593319X-RAY DIFFRACTION99.54
3.38-3.640.19661980.16153271X-RAY DIFFRACTION99.6
3.64-40.18051920.15653311X-RAY DIFFRACTION99.72
4-4.580.18791980.1413312X-RAY DIFFRACTION99.8
4.58-5.770.17021870.16353328X-RAY DIFFRACTION99.74
5.77-46.730.19041770.17483395X-RAY DIFFRACTION99.3
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)
13.14483574463-0.244616416314.372054245214.92772648083-3.26381706038.459785618940.2881304570460.937611193655-0.3092178839390.30921998339-0.269638047479-1.298464381221.832345513331.180765355220.1895747861260.5176363563870.118887069134-0.0702319551050.7265300334650.01150787788250.4134894294953.28711.88435.047
21.93567425211-1.64623721424-0.008527696697925.052687017061.401152765655.920710323340.09947406387290.2048749322620.147134225133-0.1525085131870.0222189481082-0.44502532895-0.3804175341810.0725944647699-0.2036033628420.202892199432-0.09679392952940.007710071903070.356319811428-0.0139028677020.32611404277250.21517.92629.726
32.17539374988-0.379080660155-1.000109442753.93989474196-2.067282129024.487418272310.181848603632-0.175362159430.00909934712135-0.027922747247-0.01081225939330.07966942666960.3173706026610.484509744937-0.1631021046090.2756912652230.0406123056825-0.02265863972860.326496540278-0.06620155205370.276634151947.7211.36225.25
43.33390874153-2.81990524981-3.045975882156.926476960076.330076143795.88613300047-0.726886812031-2.05013916484-0.7141642586431.53706582650.3868092128240.6583129803281.754139391711.256355953240.2059321228630.6867618202530.0281479766888-0.08534433791450.8753593249650.1699216929150.6387289657235.54-9.93735.926
54.80180803286-2.24806654520.09710743459114.66751887727-0.4983115174392.56010896975-0.142691141651-0.478603725629-0.5885563267460.7107401853610.344180797070.2844890205620.236443946501-0.0200114574833-0.2495218515950.40648430115-0.0779508391327-0.02876541345080.3378714730950.02479363616920.37487847860822.569-1.01527.172
65.88123929753.777277234762.839526122034.045698899294.029185338836.77344499439-0.0844050308468-0.1109298273810.794338494264-0.2131135148860.05646720049231.06421468057-0.613688732934-0.416809771550.01933552630690.2442943358320.04584471089510.06586763763730.352083616092-0.02572463695920.54944150814218.29226.71723.349
74.23560627488-2.35080649585-1.995418718761.49093872781.738575966983.02317982481-0.0536415186566-0.5831959110390.896580310260.344079487425-0.3815816163331.15833444057-1.63402571531-0.5666661630950.1208296682150.7286998654310.09519021174850.1150652514650.390401406159-0.2198721546140.75306498597830.51137.57133.047
85.444112622272.50518379580.4626204135213.02518613514-0.460302950792.83485663260.129913819677-0.4841499938050.3127620831660.2147916381520.120093075630.127527044308-0.38333428436-0.167848050511-0.2371109113640.259780126366-0.0119144271480.09103958176430.428777164105-0.06536587254660.39255915062521.52921.47731.218
98.61131812265-3.340279085072.364608271824.61289018464-0.4198792535283.067075426480.0287141726593-1.066454913740.2263183062880.3724544269750.2175459072180.1255432671710.00444568240644-0.402951681722-0.2430341538140.326625019655-0.08662208585810.04503538526040.483498772447-0.05041856034490.26801437373332.91113.83341.699
103.649413497942.83053524485-0.1233029821743.010998910710.46130598170.3604304253530.596654471654-1.8613077615-0.6163408072680.810981933388-0.05848642231920.3317140918960.220993400594-1.05614720909-0.03498080796480.187928117378-0.2516691283410.1511205093840.9874920525130.1293110350080.36508344131520.1958.32242.082
114.801129112252.07777624667-2.478547013043.936161218552.535910583626.395070087420.8734168128070.08347019717780.510949170463-0.31942272076-0.5702592484751.24625382901-0.991750222445-1.68234825113-0.05424323943340.3621497423920.04045117683120.05222963438371.043142160610.004140905349710.6336980697139.7947.4528.628
125.75916177709-1.39124773592-1.119676091618.70529264106-3.213144786415.082941145190.0264522729645-0.902173474249-0.5944445028741.082636126480.2102262025260.357293984608-0.0402762731646-0.0386081525287-0.1839497795580.353170763862-0.04721111857010.08120094977510.4612133421450.1007594149670.3631674825319.308-0.14733.867
131.779170245321.43662513616-0.3334383767891.22095448222-0.3743278957781.15445837320.0915115101347-0.3528774153790.03785019726860.125695016004-0.121607376032-0.184158933559-0.0933167128608-0.2567966409120.05371408170880.230705710122-0.06124321441760.03724940786690.379787657206-0.02805864577230.32207702041229.79217.98429.435
140.808960845693-0.7171691500250.00334688145643.95953951632-2.225934461281.929983681590.1751059748320.06599284986380.0903761471614-0.05425792063940.02175259837940.1550912521880.00252026463143-0.0684178633846-0.1443523425980.263714113425-0.03167836915450.04774542577560.292598375506-0.01346454724320.30100980008136.01120.57417.7
158.778506390240.0225282587683-4.07538865798.14918923708-3.95788595024.448733408380.475467404282-0.0101126737257-0.181889559105-1.4345206611-0.4425505279610.1529639747060.930828542750.4292939204410.0506441642990.6706977119030.1144041882640.003159223217280.369854344964-0.05655093841690.52006334144147.991-9.14924.255
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精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 12:16 )A12 - 16
2X-RAY DIFFRACTION2( CHAIN A AND RESID 17:31 )A17 - 31
3X-RAY DIFFRACTION3( CHAIN A AND RESID 32:68 )A32 - 68
4X-RAY DIFFRACTION4( CHAIN A AND RESID 69:76 )A69 - 76
5X-RAY DIFFRACTION5( CHAIN A AND RESID 77:106 )A77 - 106
6X-RAY DIFFRACTION6( CHAIN A AND RESID 107:127 )A107 - 127
7X-RAY DIFFRACTION7( CHAIN A AND RESID 128:134 )A128 - 134
8X-RAY DIFFRACTION8( CHAIN A AND RESID 135:154 )A135 - 154
9X-RAY DIFFRACTION9( CHAIN A AND RESID 155:182 )A155 - 182
10X-RAY DIFFRACTION10( CHAIN A AND RESID 183:201 )A183 - 201
11X-RAY DIFFRACTION11( CHAIN A AND RESID 202:213 )A202 - 213
12X-RAY DIFFRACTION12( CHAIN A AND RESID 214:230 )A214 - 230
13X-RAY DIFFRACTION13( CHAIN A AND RESID 231:249 )A231 - 249
14X-RAY DIFFRACTION14( CHAIN A AND RESID 250:288 )A250 - 288
15X-RAY DIFFRACTION15( CHAIN A AND RESID 289:301 )A289 - 301
16X-RAY DIFFRACTION16( CHAIN A AND RESID 302:336 )A302 - 336
17X-RAY DIFFRACTION17( CHAIN A AND RESID 337:350 )A337 - 350
18X-RAY DIFFRACTION18( CHAIN A AND RESID 351:364 )A351 - 364
19X-RAY DIFFRACTION19( CHAIN A AND RESID 365:386 )A365 - 386
20X-RAY DIFFRACTION20( CHAIN A AND ( RESID 387:393 OR RESID 401:402 ) )A387 - 393
21X-RAY DIFFRACTION20( CHAIN A AND ( RESID 387:393 OR RESID 401:402 ) )A401 - 402
22X-RAY DIFFRACTION21( CHAIN B AND RESID 12:28 )B12 - 28
23X-RAY DIFFRACTION22( CHAIN B AND RESID 29:36 )B29 - 36
24X-RAY DIFFRACTION23( CHAIN B AND RESID 37:54 )B37 - 54
25X-RAY DIFFRACTION24( CHAIN B AND RESID 55:72 )B55 - 72
26X-RAY DIFFRACTION25( CHAIN B AND RESID 73:79 )B73 - 79
27X-RAY DIFFRACTION26( CHAIN B AND RESID 80:103 )B80 - 103
28X-RAY DIFFRACTION27( CHAIN B AND RESID 104:125 )B104 - 125
29X-RAY DIFFRACTION28( CHAIN B AND RESID 126:129 )B126 - 129
30X-RAY DIFFRACTION29( CHAIN B AND RESID 130:156 )B130 - 156
31X-RAY DIFFRACTION30( CHAIN B AND RESID 157:182 )B157 - 182
32X-RAY DIFFRACTION31( CHAIN B AND RESID 183:198 )B183 - 198
33X-RAY DIFFRACTION32( CHAIN B AND RESID 199:209 )B199 - 209
34X-RAY DIFFRACTION33( CHAIN B AND RESID 210:233 )B210 - 233
35X-RAY DIFFRACTION34( CHAIN B AND RESID 234:289 )B234 - 289
36X-RAY DIFFRACTION35( CHAIN B AND RESID 290:297 )B290 - 297
37X-RAY DIFFRACTION36( CHAIN B AND RESID 298:329 )B298 - 329
38X-RAY DIFFRACTION37( CHAIN B AND RESID 330:335 )B330 - 335
39X-RAY DIFFRACTION38( CHAIN B AND RESID 336:364 )B336 - 364
40X-RAY DIFFRACTION39( CHAIN B AND RESID 365:391 )B365 - 391
41X-RAY DIFFRACTION40( CHAIN B AND ( RESID 392:393 OR RESID 401:402 ) )B392 - 393
42X-RAY DIFFRACTION40( CHAIN B AND ( RESID 392:393 OR RESID 401:402 ) )B401 - 402
43X-RAY DIFFRACTION41( CHAIN C AND RESID 12:17 )C12 - 17
44X-RAY DIFFRACTION42( CHAIN C AND RESID 18:36 )C18 - 36
45X-RAY DIFFRACTION43( CHAIN C AND RESID 37:55 )C37 - 55
46X-RAY DIFFRACTION44( CHAIN C AND RESID 56:85 )C56 - 85
47X-RAY DIFFRACTION45( CHAIN C AND RESID 86:105 )C86 - 105
48X-RAY DIFFRACTION46( CHAIN C AND RESID 106:124 )C106 - 124
49X-RAY DIFFRACTION47( CHAIN C AND RESID 125:129 )C125 - 129
50X-RAY DIFFRACTION48( CHAIN C AND RESID 130:162 )C130 - 162
51X-RAY DIFFRACTION49( CHAIN C AND RESID 163:183 )C163 - 183
52X-RAY DIFFRACTION50( CHAIN C AND RESID 184:197 )C184 - 197
53X-RAY DIFFRACTION51( CHAIN C AND RESID 198:220 )C198 - 220
54X-RAY DIFFRACTION52( CHAIN C AND RESID 221:233 )C221 - 233
55X-RAY DIFFRACTION53( CHAIN C AND RESID 234:260 )C234 - 260
56X-RAY DIFFRACTION54( CHAIN C AND RESID 261:283 )C261 - 283
57X-RAY DIFFRACTION55( CHAIN C AND RESID 284:300 )C284 - 300
58X-RAY DIFFRACTION56( CHAIN C AND RESID 301:330 )C301 - 330
59X-RAY DIFFRACTION57( CHAIN C AND RESID 331:344 )C331 - 344
60X-RAY DIFFRACTION58( CHAIN C AND RESID 345:367 )C345 - 367
61X-RAY DIFFRACTION59( CHAIN C AND RESID 368:384 )C368 - 384
62X-RAY DIFFRACTION60( CHAIN C AND ( RESID 385:393 OR RESID 401:401 ) )C385 - 393
63X-RAY DIFFRACTION60( CHAIN C AND ( RESID 385:393 OR RESID 401:401 ) )C401

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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://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