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- PDB-6qlv: Crystal structure of W200H UbiX in complex with a geranyl-FMN N5 ... -

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データを開く


IDまたはキーワード:

読み込み中...

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基本情報

登録情報
データベース: PDB / ID: 6qlv
タイトルCrystal structure of W200H UbiX in complex with a geranyl-FMN N5 adduct
要素Flavin prenyltransferase UbiX
キーワードTRANSFERASE / UbiX Prenyltransferase Flavin binding
機能・相同性
機能・相同性情報


flavin prenyltransferase / flavin prenyltransferase activity / lyase activity / nucleotide binding
類似検索 - 分子機能
Flavin prenyltransferase UbiX-like / Flavin prenyltransferase-like / Flavoprotein / Flavin prenyltransferase-like / Flavoprotein / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
類似検索 - ドメイン・相同性
ACETATE ION / FLAVIN MONONUCLEOTIDE / Chem-HJN / Chem-HZZ / PHOSPHATE ION / Flavin prenyltransferase UbiX
類似検索 - 構成要素
生物種Pseudomonas aeruginosa (緑膿菌)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 2.391 Å
データ登録者Marshall, S.A. / Leys, D.
資金援助 英国, 2件
組織認可番号
Biotechnology and Biological Sciences Research CouncilBB/K017802/1 英国
Biotechnology and Biological Sciences Research CouncilBB/P000622/1 英国
引用ジャーナル: Nat Commun / : 2019
タイトル: The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
著者: Marshall, S.A. / Payne, K.A.P. / Fisher, K. / White, M.D. / Ni Cheallaigh, A. / Balaikaite, A. / Rigby, S.E.J. / Leys, D.
履歴
登録2019年2月1日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02019年6月5日Provider: repository / タイプ: Initial release
改定 1.12019年6月12日Group: Data collection / Database references
カテゴリ: citation / citation_author / pdbx_database_proc
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID
改定 1.22019年8月21日Group: Data collection / カテゴリ: diffrn_source / Item: _diffrn_source.pdbx_synchrotron_site
改定 1.32024年1月24日Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description / Structure summary
カテゴリ: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id

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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: Flavin prenyltransferase UbiX
B: Flavin prenyltransferase UbiX
C: Flavin prenyltransferase UbiX
D: Flavin prenyltransferase UbiX
E: Flavin prenyltransferase UbiX
F: Flavin prenyltransferase UbiX
G: Flavin prenyltransferase UbiX
H: Flavin prenyltransferase UbiX
I: Flavin prenyltransferase UbiX
J: Flavin prenyltransferase UbiX
K: Flavin prenyltransferase UbiX
L: Flavin prenyltransferase UbiX
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)305,83750
ポリマ-296,97912
非ポリマー8,85838
15,835879
1


  • 登録構造と同一
  • ソフトウェアが定義した集合体
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area54620 Å2
ΔGint-363 kcal/mol
Surface area65130 Å2
手法PISA
単位格子
Length a, b, c (Å)161.533, 164.931, 102.527
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number18
Space group name H-MP21212
Space group name HallP22ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x+1/2,y+1/2,-z
#4: -x,-y,z

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要素

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タンパク質 , 1種, 12分子 ABCDEFGHIJKL

#1: タンパク質
Flavin prenyltransferase UbiX


分子量: 24748.256 Da / 分子数: 12 / 由来タイプ: 組換発現 / 由来: (組換発現) Pseudomonas aeruginosa (緑膿菌)
遺伝子: ubiX, C0044_29760, C8257_05245, CAZ10_26235, CGU42_07325, DT376_15100, DZ940_19110, DZ962_23875, NCTC13719_00955, PAERUG_E15_London_28_01_14_05236, PAMH19_1010, RW109_RW109_01660
発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: A0A072ZCW8, flavin prenyltransferase

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非ポリマー , 7種, 917分子

#2: 化合物
ChemComp-HZZ / [(2~{Z})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate / [(2Z)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate / (Z)-3,7-Dimethylocta-2,6-dien-1-yl dihydrogen phosphate / Geranyl monophosphate


分子量: 234.229 Da / 分子数: 9 / 由来タイプ: 組換発現 / : C10H19O4P
#3: 化合物
ChemComp-FMN / FLAVIN MONONUCLEOTIDE / RIBOFLAVIN MONOPHOSPHATE / FMN


分子量: 456.344 Da / 分子数: 9 / 由来タイプ: 組換発現 / : C17H21N4O9P
#4: 化合物
ChemComp-ACT / ACETATE ION / 酢酸イオン


分子量: 59.044 Da / 分子数: 7 / 由来タイプ: 組換発現 / : C2H3O2
#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: 7 / 由来タイプ: 組換発現 / : Na
#6: 化合物 ChemComp-HJN / [(2~{R},3~{S},4~{S})-5-[5-[(2~{Z})-3,7-dimethylocta-2,6-dienyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate


分子量: 594.594 Da / 分子数: 3 / 由来タイプ: 組換発現 / : C27H39N4O9P
#7: 化合物 ChemComp-PO4 / PHOSPHATE ION / ホスファ-ト


分子量: 94.971 Da / 分子数: 3 / 由来タイプ: 合成 / : PO4
#8: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 879 / 由来タイプ: 天然 / : H2O

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実験情報

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実験

実験手法: X線回折 / 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: 2.75 Å3/Da / 溶媒含有率: 55.33 %
結晶化温度: 294 K / 手法: 蒸気拡散法, シッティングドロップ法
詳細: PGA screen (Molecular Dimensions) C3 0.1 M ammonium sulphate, 0.3 M sodium formate, 0.1 M sodium acetate, pH 5.0, 3 % (w/v) gamma polyglutamic acid (Na+ form, LM), 20% MPD

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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: Diamond / ビームライン: I03 / 波長: 0.987 Å
検出器タイプ: DECTRIS PILATUS 6M / 検出器: PIXEL / 日付: 2015年10月3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: 0.987 Å / 相対比: 1
反射解像度: 2.391→115.4 Å / Num. obs: 108714 / % possible obs: 99.98 % / 冗長度: 2 % / Biso Wilson estimate: 26.01 Å2 / CC1/2: 0.992 / Rmerge(I) obs: 0.08033 / Net I/σ(I): 7.02
反射 シェル解像度: 2.391→2.476 Å

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解析

ソフトウェア
名称バージョン分類
PHENIX1.14_3260精密化
DIALSデータ削減
DIALSデータスケーリング
PHASER位相決定
精密化構造決定の手法: 分子置換
開始モデル: 4ZAF
解像度: 2.391→115.4 Å / SU ML: 0.2569 / 交差検証法: FREE R-VALUE / σ(F): 1.34 / 位相誤差: 21.8533
Rfactor反射数%反射
Rfree0.2202 2016 1.85 %
Rwork0.1779 --
obs0.1786 108693 99.98 %
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å
原子変位パラメータBiso mean: 33.54 Å2
精密化ステップサイクル: LAST / 解像度: 2.391→115.4 Å
タンパク質核酸リガンド溶媒全体
原子数17232 0 587 879 18698
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.001818243
X-RAY DIFFRACTIONf_angle_d0.47124964
X-RAY DIFFRACTIONf_chiral_restr0.03892893
X-RAY DIFFRACTIONf_plane_restr0.00443254
X-RAY DIFFRACTIONf_dihedral_angle_d3.066515153
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.39-2.450.29371460.25097541X-RAY DIFFRACTION99.99
2.45-2.520.27471410.22867500X-RAY DIFFRACTION99.96
2.52-2.590.26471400.22557529X-RAY DIFFRACTION99.99
2.59-2.670.25891460.21637528X-RAY DIFFRACTION99.97
2.67-2.770.25981420.20777591X-RAY DIFFRACTION99.97
2.77-2.880.30311370.20897545X-RAY DIFFRACTION99.97
2.88-3.010.24731440.20077569X-RAY DIFFRACTION100
3.01-3.170.24781450.19487588X-RAY DIFFRACTION99.99
3.17-3.370.24821440.18417600X-RAY DIFFRACTION100
3.37-3.630.20681440.16837611X-RAY DIFFRACTION99.97
3.63-40.18091450.15237630X-RAY DIFFRACTION99.97
4-4.570.18251400.13477685X-RAY DIFFRACTION100
4.57-5.760.17441490.1477748X-RAY DIFFRACTION99.97
5.76-115.540.19111530.16318012X-RAY DIFFRACTION99.93
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)
14.49438604102-0.4633722544960.007603106304116.304592109973.264769949088.671234020160.188853264794-0.1220177279760.07815094244370.4103412059910.585366906505-0.11588831605-0.112177349540.209138109584-0.659148050760.168745080777-0.0234139077660.01960302097870.1600403939730.08560758569910.277247841579-29.881720116977.0444662687-29.8105796496
28.03246160967.419429969246.38937286686.830349195595.860101295975.9852183426-0.3518601136220.2589761572230.549957823194-0.3940386426230.1988543788730.706619484625-0.734348144652-0.3943653187370.5192006827350.197157002641-0.0180022827732-0.08071742098540.221702993510.08584374780070.359701070443-36.185463786582.7716083559-33.481301712
36.49947949514-4.08485721971-5.120899981967.552917976696.483646900437.20137789760.184679651315-0.3800997206910.4450411612950.2067120846130.295445075456-0.427659911078-0.0683537491053-0.360664770644-0.3669729502920.287720003856-0.00345662914462-0.1221526607730.2998006584370.02685254278570.229658186292-27.419753949182.0506038451-29.5854977398
45.365166884062.13623394291-1.028304765024.582152638562.506213727815.48574958311-0.3966084110610.0131301485479-0.328469791344-0.5570504589460.252110438410.291434562805-0.309701280976-0.08581082469190.139730496640.276411666837-0.102351121285-0.02821855838930.3366318657370.03106031556770.172319162208-29.746847904979.4930876789-46.450074963
51.336647998110.397083911865-1.210064887452.058333419282.355540173246.51104624137-0.16817364584-0.04850068726850.383549988342-0.3194980459860.155944817582-0.396847917767-0.3271021219250.3135705599990.08838729968190.265184699852-0.065945392898-0.03285653738780.2588393344750.07571438248460.346394852123-25.015080746388.5536990754-35.5522002226
62.05030619256-0.8435644401991.295540056847.91613570221-3.438917714982.382522400210.0262602407969-0.1683826879110.2724576631720.165325918585-0.375420023283-0.812979436771-0.13959219480.09098364048450.1854265706410.19781061339-0.0490215430608-0.03078121343330.3898063616310.02539382860180.343549368425-16.803771109374.9573535141-29.3261424612
70.780407164157-0.6213602077020.8956917533631.520743908080.1715513772351.69698249853-0.07213485387730.08824983406450.0486501441349-0.09216751279570.0377979623379-0.2796330725620.0399538970950.1905435437840.00608166051660.146948889064-0.01543861866790.01180087364850.2882074783340.03628717228770.260579305023-24.749978877366.5236374331-32.3985692642
80.334864838785-0.184029044734-0.09518432847842.583695306350.8318781432732.43574605477-0.0798206396423-0.00942043622573-0.117202442105-0.09121943380240.177854977817-0.110716786737-0.2647310537980.311769920406-0.1608114513390.1057364778770.01226462176070.005160212286590.2819072244280.05416496049910.16382150673-33.344174142465.6637332022-31.2222123543
91.457624691070.7005887600351.811461406630.6685884745182.143966861667.30589721122-0.111676854719-0.130929413488-0.0214478060270.117553572405-0.0478815625384-0.1576825566060.307740737822-0.0922137596180.00539572545780.126049857054-0.003598587594420.01923841772840.2884504010040.04930819923220.249487380125-33.863069155756.6969581955-31.8286196655
101.084383085630.3686521259270.7570349215741.82778283207-1.495350267684.60854753169-0.04298793891870.3096718925490.399535172129-0.0460990054069-0.02921684458830.211219171085-0.289923349373-0.3131880037920.1031964483350.158748018394-0.0267565704902-0.04347206623320.18919240305-0.003718901196160.292222895489-46.361915730671.9220356445-31.3835669198
117.53752683275-0.7684659830644.923180721072.589730446050.4526815681134.55385742864-0.116253691651-0.82533228570.442429224205-0.00774363880290.04659649736120.663886038691-0.341586803129-0.8935618333740.08382964933440.1979932619260.04850307605050.007471970142890.2107751692030.0001364098553760.326699375205-42.487473755378.1905653886-28.8447896119
121.956043147692.63819960075-2.151877031235.52287092019-1.826612141977.055918135540.08206772579030.180037814906-0.314791287479-0.415272280655-0.0455672685535-0.5918305039440.02701645622170.7044453218260.1069761793980.1979366411710.0933855289142-0.06444556115750.3658279247940.002514470463380.410484533839-2.4149201820927.2518565492-13.0031741153
133.228653846520.140719622843-0.3521072958030.7773107574310.2226981398261.319057802880.2383920115080.00872428970287-0.8149014259030.3824280647880.139895807128-0.1774872135910.523529223980.346092684322-0.0115256754261-0.2908856388570.128033933994-0.3444848096980.394393813273-0.02668993320690.516426946898-2.2051982868618.3954577052-10.0249028178
146.607801955560.410713516329-1.313944001252.53043162746-1.562250127814.93007633181-0.049768293989-0.209263965788-0.09310294310940.2025304363950.135388952541-0.1493371278840.00815507029972-0.0219830517542-0.01727092244250.1740018055530.0670474940863-0.08881591231270.331261022765-0.03415605029560.269292028573-3.9543419786824.2305708087-2.10313880736
154.41178298995-2.036906295181.162073314692.34955710459-0.8304546203971.08472009327-0.151976462665-0.1637191042840.01722372977450.2619132426850.0512619835224-0.400617782001-0.1390354224390.0761450206580.07929577846280.1955579779040.0331270873088-0.07973155367710.332405195474-0.01655936316590.3210162620370.76623817905930.8345116889-5.63840944113
161.701217877030.227773176498-0.7613167158692.905007621660.1800703038651.27814168183-0.01936271318410.03122718412990.1461985860340.2166448980270.186917365876-0.15613945525-0.0625202427477-0.054702232016-0.1379658127220.1339065879270.0288932363772-0.05966796609090.2918807734240.03280956094690.238932435353-13.478416559634.498206939-12.2614940171
174.305874288672.97881470647-4.089489173292.51451686152-2.017428915515.27463686506-0.0712716232654-0.002385860439930.307123313708-0.08888391134750.03336837363140.00866329030478-0.0786135759668-0.0438290084767-0.05795666683730.1233612774190.0407312702277-0.02803925023310.2548536497750.02750714296940.245256272645-22.419781504133.0746182465-17.6095615366
181.461612848231.371376831270.1203809690521.34674012572-0.3483377703113.063874851480.2879760429420.277468630259-0.5585797298880.229322924631-0.314458246337-0.7379173048290.7371548515880.0661445832213-0.05332591196630.00936556752540.105875235202-0.07894366650640.3957782044560.04447164291540.541783862634-13.869395591513.7367517621-18.5220177207
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662.176095227680.401228480693-0.4120229597635.62762656445-0.3256190510413.48751343896-0.0458127654223-0.48380501525-0.2402308845260.575144321951-0.002056315669080.1480720176250.259118002542-0.1363383615860.04470983488890.3050433828540.04406631299620.04527882462340.5038569862690.08273696727380.189932000761-35.743025697433.440425712414.5587439533
671.70061595275-1.14882701663-0.002248710826261.44635840873-0.02207712036080.849629368002-0.0697062469191-0.251000514296-0.1157392245840.1995291157230.06027941619270.07902464143020.108054966111-0.002437908171780.03941446827270.149515734476-0.00785310445026-0.01052652645360.34410274670.01472416150030.195043406181-34.312766635336.3296269514-0.601306482385
684.02243762452-3.2268284586-2.798386177147.012045915824.961790037784.11439538709-0.0311148208676-0.315743188086-0.5584478896410.761031067957-0.3337654074220.8767740541770.499236064163-0.5776044033860.4063327867350.291090618235-0.05806560060720.08661094681680.4745053162130.1277668819610.354590917193-49.216093294836.8766006297.81288485026
693.65440320357-0.261321809944-0.4444326125182.967243991040.04445956691282.168589756750.0030616667707-0.01304799151560.164126858391-0.11655275466-0.00695204948175-0.502583248776-0.1076035382930.4607517634640.01033037246160.147917254398-0.06813695170650.06261052031160.437027095882-0.01540316799870.4161134243213.9349289307559.4319366992-35.1513679208
704.177220856151.53606690201-0.7092236642571.164535243070.1035810572321.70055001632-0.2900501389850.496584372658-0.18622573066-0.2697375878420.272183820738-0.2956472337280.09057117234730.022514880275-0.01698759877450.216099921821-0.06584667856790.08139333965760.433985343457-0.01952969438910.35934247355-0.89575283344152.5671207751-42.0613057381
710.8639659234290.2648279885880.1263820788031.007189700940.2646492407932.51302457808-0.07648698486450.187831643586-0.0385643317328-0.005516056730850.0869441899321-0.09341392212670.01440674187110.160368292772-0.03053233827990.0996535291286-0.02153323395260.01094695225310.3222105256690.00496972890430.257551228853-10.647443304752.3777142729-28.6823664915
720.910740391819-1.33214751829-0.4757912267854.196482779633.806653017735.76589086705-0.316722623633-0.237345507588-0.02716073088480.4233186305340.410503261934-0.21264729280.1921971726650.821154565948-0.1262630978630.1706021975340.0143652386328-0.02613282227050.4440482173780.02624010180810.4193430406443.8249561123351.9363114793-21.9537404092
737.52065817233-1.118312634972.535143412452.86451701409-1.764563154925.56986583284-0.243749645443-0.513836215236-0.113145214625-0.1117061083370.31205205597-0.448599895797-0.0132680989582-0.0321873774910.05397422726830.172882775265-0.005900608651790.07241765740420.386124164472-0.1464927363590.324165424917-11.162718820622.2678764332-44.6552329919
746.96715613732-3.6007764371.786100604764.23662089743-0.9838055858612.408353946860.1661577024850.897478314521-0.478333923398-0.394254230585-0.0877463184-0.777723314262-0.006023977135960.465939041897-0.1015937821840.222947438591-0.03445268568020.1250858962680.380917974868-0.08434783378820.409277824948-8.1165119513823.5104906306-53.2596110324
755.48225151472-0.06372716894572.512281539252.26006942360.008834819461263.946223939440.08286730988220.0306702832503-0.268640337648-0.241339278659-0.0656466609757-0.281760554990.293425783620.1665573293140.04961745473490.1938186361280.02365500822050.09941776879210.32021400315-0.1142719196220.366390268566-14.946195122516.2579654758-51.8808312482
765.00617048749-0.4136665883942.132580720224.78762318518-0.7492974151446.177642950610.6728317134760.656159049319-0.64412825202-0.274944032857-0.183281453289-0.874023482230.5015095731210.837948884141-0.1470866900010.3582161855410.03853452003510.1002538129380.510870630872-0.2238083535720.605042114695-9.1054537338510.3886339705-53.5248193268
771.33444327752-0.204976777856-0.7796690857372.45431172445-0.1389851604512.37861016282-0.03992535167220.0379931974015-0.1426959072640.1605463861210.042866392479-0.237279714660.1696552944710.2501042694240.03023265485480.1393274182730.000276958911059-0.001844163197520.305969529593-0.0844379376680.366108717934-15.70734866717.4943014517-39.6589605616
783.225498590983.933907453485.030555721354.859262726285.940468429938.081551083920.139839835511-0.5377789591960.198568450407-0.066090857419-0.285895321635-0.04244395136620.00881797922467-0.2780243625140.2580309921660.1634022875620.02170896862750.007133594451350.2749056336150.0270946951080.314881412688-17.947377930220.4167705566-33.8402206882
794.22470826855-0.04486204306112.214598531291.13382141073-0.8617671276394.171099762540.000415777872685-0.0176891591599-0.340088542917-0.1508099118410.0786532409289-0.1117496354640.1426257397440.227698453391-0.0673443561470.183511803013-0.0009097046372440.05249033974970.209751181326-0.07856211609220.232251937647-19.087168180930.2656102555-41.7020285719
806.038554084021.751111585995.565088107843.246749627371.167795130515.49025833164-0.1714017052060.185543523638-0.380447861209-0.0636301402570.18789911666-0.169013344408-0.2811686731840.2826347653860.02925319436860.12044869451-0.001722054292550.04186494289390.293400254632-0.03991146510490.263556928348-25.249488658434.7849306189-37.3792657303
811.979840678130.5883909838952.420180823852.535877869641.513060913064.24464636485-0.06970767210330.170904768905-0.0331229324133-0.5062778010090.264872309338-0.521683151436-0.0745253460610.224988173879-0.1302511733750.1734128796580.04973372520960.09985793145320.354344679772-0.006179834877840.370115390588-12.423739666637.9510237206-53.8113582388
823.22127729624-1.452384779521.565671444371.77538925878-1.950212407412.11555724799-0.02439808537680.281025091655-0.118283378935-0.3657603167310.016498111428-0.698668054055-0.03266615242330.8543863649120.1311327323780.242526269526-0.03161144884730.141112804030.485052798765-0.07717458957290.516914250004-6.1944140154931.6999653319-52.0706634295
833.47619857351-1.209162393160.7974101553535.397481175640.01658528064855.90325957552-0.0635423726970.301145279569-0.112542892138-0.682140316925-0.009608147354270.2171370970080.0612010937194-0.3926272259920.02071946234940.339285797549-0.04411906666410.04381343266490.4460718773320.01868340589170.157079140175-28.4667055250.4724970449-63.0357249904
845.29562310769-1.077801803530.8100401608494.1481916594-2.066758124444.426823349340.2517646832090.8350631704390.120333879377-0.826719376189-0.181541378749-0.215080203042-0.03289299833620.270166377186-0.03774411456520.390053396623-0.04316876880450.1003670027660.5432240598630.0606383512020.240564160791-17.57101569756.5749585234-65.7761313167
851.09025222788-0.705969273163-1.079583158122.376174658020.126602657144.522537745340.03851012334870.3430228363890.0720962684603-0.31742342608-0.05246597021460.131271726489-0.350881441593-0.2352153947710.05830039329830.223840851507-0.0616308845304-0.03365223997920.3586588479980.03444731287280.213469992749-28.965863878758.0147880962-54.4180608209
861.03985684973-0.6884611461030.3921373759122.772443239110.5881043746750.357862838679-0.03297294577390.0607814363786-0.0449479778459-0.1932472791780.0106070980864-0.00942810347173-0.07268247611670.03951367516620.0200659525070.174921193128-0.02860520717530.03479378324190.3153352914750.007644409561950.172530357942-27.16236669844.3661000143-49.2266141011
873.89498092329-4.42912515947-1.552581463967.910189715583.228268908373.691943640720.1622729879040.815320905038-0.547791088283-0.757397950434-0.1876447424320.536775552065-0.00607834277519-0.2274361541480.08487351101440.346341992826-0.0199791735854-0.03389802621280.450669078312-0.03126747548370.182512694896-28.442535745438.8580170986-62.5614670835
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 2 through 16 )
2X-RAY DIFFRACTION2chain 'A' and (resid 17 through 29 )
3X-RAY DIFFRACTION3chain 'A' and (resid 30 through 39 )
4X-RAY DIFFRACTION4chain 'A' and (resid 40 through 57 )
5X-RAY DIFFRACTION5chain 'A' and (resid 58 through 78 )
6X-RAY DIFFRACTION6chain 'A' and (resid 79 through 96 )
7X-RAY DIFFRACTION7chain 'A' and (resid 97 through 129 )
8X-RAY DIFFRACTION8chain 'A' and (resid 130 through 144 )
9X-RAY DIFFRACTION9chain 'A' and (resid 145 through 156 )
10X-RAY DIFFRACTION10chain 'A' and (resid 157 through 174 )
11X-RAY DIFFRACTION11chain 'A' and (resid 175 through 194 )
12X-RAY DIFFRACTION12chain 'B' and (resid 1 through 16 )
13X-RAY DIFFRACTION13chain 'B' and (resid 17 through 29 )
14X-RAY DIFFRACTION14chain 'B' and (resid 30 through 57 )
15X-RAY DIFFRACTION15chain 'B' and (resid 58 through 104 )
16X-RAY DIFFRACTION16chain 'B' and (resid 105 through 144 )
17X-RAY DIFFRACTION17chain 'B' and (resid 145 through 157 )
18X-RAY DIFFRACTION18chain 'B' and (resid 158 through 174 )
19X-RAY DIFFRACTION19chain 'B' and (resid 175 through 196 )
20X-RAY DIFFRACTION20chain 'C' and (resid 2 through 16 )
21X-RAY DIFFRACTION21chain 'C' and (resid 17 through 29 )
22X-RAY DIFFRACTION22chain 'C' and (resid 30 through 57 )
23X-RAY DIFFRACTION23chain 'C' and (resid 58 through 69 )
24X-RAY DIFFRACTION24chain 'C' and (resid 70 through 144 )
25X-RAY DIFFRACTION25chain 'C' and (resid 145 through 156 )
26X-RAY DIFFRACTION26chain 'C' and (resid 157 through 174 )
27X-RAY DIFFRACTION27chain 'C' and (resid 175 through 194 )
28X-RAY DIFFRACTION28chain 'D' and (resid 1 through 16 )
29X-RAY DIFFRACTION29chain 'D' and (resid 17 through 29 )
30X-RAY DIFFRACTION30chain 'D' and (resid 30 through 57 )
31X-RAY DIFFRACTION31chain 'D' and (resid 58 through 69 )
32X-RAY DIFFRACTION32chain 'D' and (resid 70 through 104 )
33X-RAY DIFFRACTION33chain 'D' and (resid 105 through 144 )
34X-RAY DIFFRACTION34chain 'D' and (resid 145 through 157 )
35X-RAY DIFFRACTION35chain 'D' and (resid 158 through 174 )
36X-RAY DIFFRACTION36chain 'D' and (resid 175 through 195 )
37X-RAY DIFFRACTION37chain 'E' and (resid 2 through 16 )
38X-RAY DIFFRACTION38chain 'E' and (resid 17 through 29 )
39X-RAY DIFFRACTION39chain 'E' and (resid 30 through 39 )
40X-RAY DIFFRACTION40chain 'E' and (resid 40 through 57 )
41X-RAY DIFFRACTION41chain 'E' and (resid 58 through 69 )
42X-RAY DIFFRACTION42chain 'E' and (resid 70 through 129 )
43X-RAY DIFFRACTION43chain 'E' and (resid 130 through 144 )
44X-RAY DIFFRACTION44chain 'E' and (resid 145 through 156 )
45X-RAY DIFFRACTION45chain 'E' and (resid 157 through 194 )
46X-RAY DIFFRACTION46chain 'F' and (resid 2 through 16 )
47X-RAY DIFFRACTION47chain 'F' and (resid 17 through 69 )
48X-RAY DIFFRACTION48chain 'F' and (resid 70 through 129 )
49X-RAY DIFFRACTION49chain 'F' and (resid 130 through 174 )
50X-RAY DIFFRACTION50chain 'F' and (resid 175 through 196 )
51X-RAY DIFFRACTION51chain 'G' and (resid 2 through 57 )
52X-RAY DIFFRACTION52chain 'G' and (resid 58 through 69 )
53X-RAY DIFFRACTION53chain 'G' and (resid 70 through 104 )
54X-RAY DIFFRACTION54chain 'G' and (resid 105 through 144 )
55X-RAY DIFFRACTION55chain 'G' and (resid 145 through 156 )
56X-RAY DIFFRACTION56chain 'G' and (resid 157 through 174 )
57X-RAY DIFFRACTION57chain 'G' and (resid 175 through 196 )
58X-RAY DIFFRACTION58chain 'H' and (resid 2 through 29 )
59X-RAY DIFFRACTION59chain 'H' and (resid 30 through 57 )
60X-RAY DIFFRACTION60chain 'H' and (resid 58 through 69 )
61X-RAY DIFFRACTION61chain 'H' and (resid 70 through 129 )
62X-RAY DIFFRACTION62chain 'H' and (resid 130 through 144 )
63X-RAY DIFFRACTION63chain 'H' and (resid 145 through 156 )
64X-RAY DIFFRACTION64chain 'H' and (resid 157 through 174 )
65X-RAY DIFFRACTION65chain 'H' and (resid 175 through 194 )
66X-RAY DIFFRACTION66chain 'I' and (resid 2 through 78 )
67X-RAY DIFFRACTION67chain 'I' and (resid 79 through 174 )
68X-RAY DIFFRACTION68chain 'I' and (resid 175 through 196 )
69X-RAY DIFFRACTION69chain 'J' and (resid 2 through 69 )
70X-RAY DIFFRACTION70chain 'J' and (resid 70 through 104 )
71X-RAY DIFFRACTION71chain 'J' and (resid 105 through 174 )
72X-RAY DIFFRACTION72chain 'J' and (resid 175 through 196 )
73X-RAY DIFFRACTION73chain 'K' and (resid 2 through 16 )
74X-RAY DIFFRACTION74chain 'K' and (resid 17 through 29 )
75X-RAY DIFFRACTION75chain 'K' and (resid 30 through 57 )
76X-RAY DIFFRACTION76chain 'K' and (resid 58 through 69 )
77X-RAY DIFFRACTION77chain 'K' and (resid 70 through 118 )
78X-RAY DIFFRACTION78chain 'K' and (resid 119 through 129 )
79X-RAY DIFFRACTION79chain 'K' and (resid 130 through 144 )
80X-RAY DIFFRACTION80chain 'K' and (resid 145 through 157 )
81X-RAY DIFFRACTION81chain 'K' and (resid 158 through 174 )
82X-RAY DIFFRACTION82chain 'K' and (resid 175 through 197 )
83X-RAY DIFFRACTION83chain 'L' and (resid 2 through 39 )
84X-RAY DIFFRACTION84chain 'L' and (resid 40 through 69 )
85X-RAY DIFFRACTION85chain 'L' and (resid 70 through 118 )
86X-RAY DIFFRACTION86chain 'L' and (resid 119 through 174 )
87X-RAY DIFFRACTION87chain 'L' and (resid 175 through 194 )

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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