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- PDB-3qkt: Rad50 ABC-ATPase with adjacent coiled-coil region in complex with... -

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基本情報

登録情報
データベース: PDB / ID: 3qkt
タイトルRad50 ABC-ATPase with adjacent coiled-coil region in complex with AMP-PNP
要素DNA double-strand break repair rad50 ATPase
キーワードREPLICATION / RecA-like fold / coiled-coils / ATPase / ATP binding / DNA binding / Mre11
機能・相同性
機能・相同性情報


double-strand break repair / ATP hydrolysis activity / zinc ion binding / ATP binding / identical protein binding
類似検索 - 分子機能
DNA double-strand break repair Rad50 ATPase, archaeal type / AAA domain, putative AbiEii toxin, Type IV TA system / Rad50 zinc hook motif / RAD50, zinc hook / Rad50 zinc-hook domain profile. / Rad50/SbcC-type AAA domain / AAA domain / ATPase, AAA-type, core / P-loop containing nucleotide triphosphate hydrolases / Rossmann fold ...DNA double-strand break repair Rad50 ATPase, archaeal type / AAA domain, putative AbiEii toxin, Type IV TA system / Rad50 zinc hook motif / RAD50, zinc hook / Rad50 zinc-hook domain profile. / Rad50/SbcC-type AAA domain / AAA domain / ATPase, AAA-type, core / P-loop containing nucleotide triphosphate hydrolases / Rossmann fold / P-loop containing nucleoside triphosphate hydrolase / 3-Layer(aba) Sandwich / Alpha Beta
類似検索 - ドメイン・相同性
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / DNA double-strand break repair Rad50 ATPase
類似検索 - 構成要素
生物種Pyrococcus furiosus (古細菌)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 1.9 Å
データ登録者Williams, G.J. / Williams, R.S. / Arvai, A. / Moncalian, G. / Tainer, J.A.
引用ジャーナル: Nat.Struct.Mol.Biol. / : 2011
タイトル: ABC ATPase signature helices in Rad50 link nucleotide state to Mre11 interface for DNA repair.
著者: Williams, G.J. / Williams, R.S. / Williams, J.S. / Moncalian, G. / Arvai, A.S. / Limbo, O. / Guenther, G. / Sildas, S. / Hammel, M. / Russell, P. / Tainer, J.A.
履歴
登録2011年2月1日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02011年3月30日Provider: repository / タイプ: Initial release
改定 1.12011年7月13日Group: Version format compliance
改定 1.22017年7月26日Group: Refinement description / Source and taxonomy / カテゴリ: entity_src_gen / software
改定 1.32023年9月13日Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._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_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_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_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: DNA double-strand break repair rad50 ATPase
B: DNA double-strand break repair rad50 ATPase
C: DNA double-strand break repair rad50 ATPase
D: DNA double-strand break repair rad50 ATPase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)156,55612
ポリマ-154,4344
非ポリマー2,1228
16,844935
1
A: DNA double-strand break repair rad50 ATPase
B: DNA double-strand break repair rad50 ATPase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)78,2786
ポリマ-77,2172
非ポリマー1,0614
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area5140 Å2
ΔGint-25 kcal/mol
Surface area28290 Å2
手法PISA
2
C: DNA double-strand break repair rad50 ATPase
D: DNA double-strand break repair rad50 ATPase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)78,2786
ポリマ-77,2172
非ポリマー1,0614
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area5090 Å2
ΔGint-26 kcal/mol
Surface area28440 Å2
手法PISA
単位格子
Length a, b, c (Å)83.390, 108.517, 150.366
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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要素

#1: タンパク質
DNA double-strand break repair rad50 ATPase / Rad50 ABC-ATPase


分子量: 38608.617 Da / 分子数: 4 / 断片: UNP residues 1-177, 726-882 / 由来タイプ: 組換発現 / 由来: (組換発現) Pyrococcus furiosus (古細菌) / 遺伝子: rad50, PF1167 / 発現宿主: Escherichia coli (大腸菌)
参照: UniProt: P58301, 加水分解酵素; 酸無水物に作用
#2: 化合物
ChemComp-ANP / PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER


分子量: 506.196 Da / 分子数: 4 / 由来タイプ: 合成 / : C10H17N6O12P3
コメント: AMP-PNP, エネルギー貯蔵分子類似体*YM
#3: 化合物
ChemComp-MG / MAGNESIUM ION


分子量: 24.305 Da / 分子数: 4 / 由来タイプ: 合成 / : Mg
#4: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 935 / 由来タイプ: 天然 / : H2O
配列の詳細THE RAD50 ABC-ATPASE CONSTRUCT CONSISTS OF UNP RESIDUES 1-177 AND 726-882 CONNECTED BY AN ...THE RAD50 ABC-ATPASE CONSTRUCT CONSISTS OF UNP RESIDUES 1-177 AND 726-882 CONNECTED BY AN ENGINEERED LINKER (GGSGG)

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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: 2.2 Å3/Da / 溶媒含有率: 44.16 %
結晶化温度: 293 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 9
詳細: 100 mM Tris, 100 mM sodium chloride, 16-18% PEG550 MME, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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データ収集

回折平均測定温度: 100 K
放射光源由来: シンクロトロン / サイト: ALS / ビームライン: 12.3.1 / 波長: 1.11
検出器タイプ: ADSC QUANTUM 315 / 検出器: CCD / 日付: 2006年10月1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: 1.11 Å / 相対比: 1
反射解像度: 1.9→87.995 Å / Num. all: 107886 / Num. obs: 105235 / % possible obs: 97.5 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / 冗長度: 5.3 % / Rmerge(I) obs: 0.056 / Net I/σ(I): 25.4
反射 シェル解像度: 1.9→1.9219 Å / 冗長度: 2.6 % / Rmerge(I) obs: 0.48 / Mean I/σ(I) obs: 1.9 / % possible all: 81.8

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解析

ソフトウェア
名称バージョン分類
Blu-Iceデータ収集
PHASER位相決定
PHENIX(phenix.refine: 1.6.1_357)精密化
HKL-2000データ削減
HKL-2000データスケーリング
精密化構造決定の手法: 分子置換
開始モデル: PDB ENTRY 1US8
解像度: 1.9→49.651 Å / SU ML: 0.26 / σ(F): 1.34 / 位相誤差: 25.27 / 立体化学のターゲット値: ML
Rfactor反射数%反射Selection details
Rfree0.2436 5287 5.03 %RANDOM
Rwork0.1921 ---
obs0.1947 105157 97.47 %-
all-102496 --
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 / Bsol: 44.944 Å2 / ksol: 0.314 e/Å3
原子変位パラメータ
Baniso -1Baniso -2Baniso -3
1-0.7719 Å2-0 Å20 Å2
2---6.6648 Å20 Å2
3---5.8929 Å2
精密化ステップサイクル: LAST / 解像度: 1.9→49.651 Å
タンパク質核酸リガンド溶媒全体
原子数10535 0 128 935 11598
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.00510829
X-RAY DIFFRACTIONf_angle_d0.9714580
X-RAY DIFFRACTIONf_dihedral_angle_d16.5514262
X-RAY DIFFRACTIONf_chiral_restr0.0621651
X-RAY DIFFRACTIONf_plane_restr0.0041812
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.9003-1.92190.33791340.32662309X-RAY DIFFRACTION69
1.9219-1.94450.32121590.27192754X-RAY DIFFRACTION82
1.9445-1.96820.28751580.23613075X-RAY DIFFRACTION91
1.9682-1.99310.28151850.21863244X-RAY DIFFRACTION96
1.9931-2.01940.25081760.20823311X-RAY DIFFRACTION98
2.0194-2.0470.24211660.19933394X-RAY DIFFRACTION99
2.047-2.07630.251780.20013366X-RAY DIFFRACTION100
2.0763-2.10730.25911780.19933334X-RAY DIFFRACTION100
2.1073-2.14020.2861810.20233420X-RAY DIFFRACTION100
2.1402-2.17530.25311920.19213339X-RAY DIFFRACTION100
2.1753-2.21280.26281760.20393411X-RAY DIFFRACTION100
2.2128-2.2530.31221610.24693290X-RAY DIFFRACTION97
2.253-2.29640.29221730.23063318X-RAY DIFFRACTION98
2.2964-2.34320.26131870.18643378X-RAY DIFFRACTION100
2.3432-2.39420.23041790.18323410X-RAY DIFFRACTION100
2.3942-2.44990.23611600.18113401X-RAY DIFFRACTION100
2.4499-2.51110.25131640.18863403X-RAY DIFFRACTION100
2.5111-2.5790.26061780.19353424X-RAY DIFFRACTION100
2.579-2.65490.22932140.19323343X-RAY DIFFRACTION100
2.6549-2.74060.22221920.19833396X-RAY DIFFRACTION100
2.7406-2.83850.2742030.20283392X-RAY DIFFRACTION100
2.8385-2.95220.2641790.20013412X-RAY DIFFRACTION100
2.9522-3.08650.21491520.19363460X-RAY DIFFRACTION100
3.0865-3.24920.26511880.1843416X-RAY DIFFRACTION100
3.2492-3.45270.2271600.18133450X-RAY DIFFRACTION100
3.4527-3.71930.24091940.17393413X-RAY DIFFRACTION100
3.7193-4.09340.22761720.16813470X-RAY DIFFRACTION100
4.0934-4.68530.19541900.15513477X-RAY DIFFRACTION100
4.6853-5.90150.2181830.17013520X-RAY DIFFRACTION100
5.9015-49.66830.23471750.20783540X-RAY DIFFRACTION96
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)
11.23480.4856-0.27491.22421.07792.94190.0880.346-0.331-0.20340.05690.25920.2989-0.08240.09180.19940.0208-0.03740.2551-0.0560.273212.72369.5452-17.6503
20.85630.2151-0.78071.93240.77261.18970.45880.8832-0.1558-1.0391-0.29620.62180.1064-0.58540.11720.27410.0287-0.15190.428-0.06460.29615.014317.1032-22.5732
30.49430.3259-0.32191.14140.60963.33840.02820.0705-0.2021-0.0825-0.0553-0.05010.03530.19-0.00220.16520.0119-0.04010.1912-0.01510.185115.383315.4764-12.4649
40.47810.4075-0.93732.7517-0.82322.19110.1679-0.4703-0.25570.8507-0.20170.34250.01321.2901-0.02080.2530.15750.01210.42880.05040.33525.925211.8558-6.6798
51.9969-0.0086-0.50721.2891.52421.835-0.24750.4482-0.4393-0.3803-0.1878-0.42530.6282-0.01910.11570.22990.0336-0.0020.3194-0.10070.237918.09539.5873-21.2204
60.4230.0251-0.02550.59070.09810.5488-0.00420.3082-0.2788-0.2989-0.3970.20750.99610.06380.20540.38590.13460.07480.3255-0.00980.255323.24974.6993-19.2085
70.01720.23790.18414.11240.50565.9712-0.02730.61450.24040.0707-0.1866-0.45610.6303-0.08850.43990.3270.36190.24950.85860.14920.642930.3510.6279-17.235
82.08040.64260.34460.99550.6490.7598-0.27740.5465-0.2786-0.43160.2648-0.0983-0.58350.1740.16710.29250.1147-0.02970.6775-0.10940.217722.02259.3692-34.0769
91.9271-1.3452-2.03372.92851.52682.1197-0.2734-0.5984-0.3805-0.03440.9306-0.6921-0.05560.4674-0.2270.3243-0.0337-0.00330.5748-0.11420.287228.804516.8958-26.3329
101.1506-0.48330.34471.31670.73170.785-0.1321-0.12260.00640.17730.0053-0.1208-0.23630.1456-0.05570.2004-0.0095-0.03550.20190.01570.160320.716528.0166-11.518
110.787-0.2229-0.43541.98780.75150.74140.05470.0355-0.0055-0.73550.0436-0.63360.52871.0795-0.12830.36890.02350.06970.37610.07760.433126.145435.8629-18.8789
120.5758-0.37831.25621.3579-1.6464.18730.0106-0.2366-0.0132-0.0936-0.8628-0.5651.32440.46560.48430.80980.23530.40890.57010.31960.623233.396540.0057-34.1055
130.7409-0.85141.20981.9817-3.12584.9833-0.0427-0.0911-0.09840.1913-0.6926-0.2089-0.32020.79430.55630.4812-0.03840.19910.31430.10550.308332.180349.2637-31.4261
140.3174-0.84790.08262.18410.23011.34850.13370.29530.0157-0.4428-0.1550.3456-0.266-0.4955-0.01540.22490.030.01180.26010.05450.17139.258344.119-11.4158
150.2061-0.1333-0.48142.0414-0.52892.19670.1772-0.50170.362-0.10130.0155-1.441-0.46430.38730.05930.2901-0.03230.08250.34130.08370.456526.193145.6213-11.6025
160.75450.48240.45831.70450.39750.85730.02540.11290.0117-0.2691-0.00410.0877-0.18340.0613-0.03940.20790.03410.02060.20750.04150.150713.494937.4605-9.0808
170.0128-0.0050.25231.02761.07946.8418-0.0954-0.0568-0.0497-0.197-0.4350.72710.1151-1.89410.17040.20760.0675-0.08720.36-0.00210.36490.278733.7709-5.4933
181.5509-0.10911.60350.98441.16473.30470.01770.162-0.1698-0.1217-0.50850.72240.3019-0.60660.17240.31310.0952-0.07310.41140.0030.33363.20233.36-19.8282
190.86120.85660.01051.76620.41661.20290.1030.14330.2160.14830.03190.56160.0074-0.7778-0.07180.1676-0.0005-0.03790.3651-0.00750.26041.53818.4772-11.484
200.66240.6723-0.65192.13370.32771.3078-0.1939-0.1451-0.3642-0.30160.37130.59370.3406-0.97120.04850.206-0.1125-0.09750.4411-0.04170.32171.34529.0693-13.1269
210.2910.03980.66242.17050.66571.63420.2138-0.31980.25370.85820.18770.0779-0.2647-0.0316-0.0210.4449-0.0870.04730.3411-0.04460.235112.051637.347327.5487
220.61090.04880.97911.86280.39792.47810.1164-0.02050.18770.1618-0.10940.1849-0.1378-0.0169-0.03370.1606-0.01470.06840.1646-0.00350.172712.550340.625316.4183
230.99340.30821.09571.06440.37662.13810.09350.76-0.2297-0.5711-0.20860.036-0.07830.36550.06030.2995-0.06120.02320.25510.02120.276422.89245.56328.2554
240.86520.09150.51520.63430.92981.43030.1497-0.12670.09590.5633-0.14510.0722-0.49050.050.00560.3486-0.10540.01290.20660.01590.134617.576844.807324.7972
252.2241-0.2556-0.45683.8302-0.9622.8613-0.28440.04250.73710.6521-0.2307-0.541-0.97541.17640.40980.3774-0.2738-0.05190.36130.09850.336324.948551.480522.2189
261.471.1068-0.01581.3621-0.92962.2970.6847-0.1510.51170.3662-0.2450.4931-0.71710.4109-0.20680.5077-0.10090.00750.4429-0.0380.394425.150745.186533.4845
270.3370.1878-0.42961.4597-0.56590.63870.04930.0247-0.0820.1201-0.0324-0.33170.12240.09350.09110.1520.0144-0.02670.17480.01030.245422.543429.741817.5769
280.15930.39-0.03711.1964-0.35910.308-0.10420.60560.1437-0.36620.2458-0.86020.17430.59840.16550.2681-0.02920.05690.4020.15670.699529.044119.594515.1054
290.7466-0.04620.15321.2794-0.53490.2445-0.05470.1252-0.4391-0.03920.0074-1.032-0.0213-0.440.21441.12650.28810.39020.560.65341.632940.12199.775731.0457
300.1038-0.0424-0.10850.550.9251.72620.65810.0002-0.9094-0.29680.1698-1.3436-0.4914-0.13760.47720.86430.0456-0.25440.5735-0.06510.93635.73867.284229.0285
311.9422-0.16350.7070.81470.22981.41180.3503-0.4044-0.73580.66490.16630.03130.8077-0.0407-0.24420.43510.0102-0.06950.26150.02380.257418.467410.154919.3238
32-0.0016-0.0099-0.06090.06650.41793.01550.2592-0.21970.3707-0.35470.27850.310.3513-0.9547-0.33860.2889-0.07580.00110.33120.05710.43255.59410.7789.729
330.2355-0.69430.15311.9807-0.3621.87010.18730.1766-0.47480.0592-0.1997-0.82870.5460.7189-0.02730.2780.0261-0.07580.35450.13630.398323.97478.576911.9154
340.25920.39830.32232.715-0.60222.15360.01250.2109-0.6985-0.04860.3073-0.12320.96740.3156-0.08450.33590.0787-0.05090.19260.01990.311519.64125.85814.7682
350.80660.68110.00741.47960.00951.38490.0768-0.00310.21750.2973-0.13320.10490.0340.2117-0.07980.2133-0.025-0.00120.16830.00480.212615.466617.889513.6278
360.4530.4843-0.13991.54290.14511.56480.121-0.0537-0.33520.10130.00530.101-0.0397-0.0186-0.10020.1960.00010.05620.21770.05990.232712.067426.333214.1277
372.21-1.0109-2.04352.32370.71562.20060.01780.1933-0.10390.341-0.37930.83310.5577-1.0531-0.37830.1842-0.13360.08280.31320.00020.24421.393318.12510.5546
381.12580.6544-0.552.0026-0.16241.65150.1396-0.0387-0.18260.0967-0.23220.35780.2864-0.21880.07010.2558-0.03780.07550.27010.00530.2933.984926.38416.9646
390.87610.6526-0.22511.81140.21610.90290.2746-0.15720.19950.0501-0.25820.7593-0.2469-0.2303-0.0440.19690.02020.12030.2396-0.01240.35080.50239.091914.7308
400.12660.12420.05261.81750.75440.67110.25720.03890.41430.23130.02131.5074-0.1092-0.7662-0.00990.2616-0.00060.17080.3716-0.03480.4939-0.306542.612816.757
410.1420.19040.59830.24360.76312.52680.1095-0.38910.02980.7159-0.3130.3156-0.1705-0.13760.0960.4063-0.0130.05750.2689-0.05370.3925-10.780592.744523.8476
420.10760.10690.40810.23540.62532.13820.0702-0.1979-0.04050.3177-0.13220.4156-0.6052-0.0030.14060.29560.02290.02950.1727-0.03870.382-11.930699.123115.5261
430.00940.09150.10040.35420.40290.8513-0.0790.03440.12360.1171-0.00630.2731-0.0327-0.08350.02870.21910.01050.0480.1727-0.04180.2753-10.271191.986611.6022
441.12710.13771.10810.92370.39712.9057-0.06220.44070.0421-0.66490.10530.0203-0.41931.1855-0.03710.263-0.05240.01830.3782-0.02280.22594.453297.25869.3092
451.63530.10831.05811.51461.37081.9862-0.0891-0.18860.421-0.002-0.22570.0309-0.270.27930.22470.3306-0.05560.01450.2471-0.0270.2336-1.4455101.680520.7098
460.09170.1578-0.12650.7006-0.62690.66560.413-0.60790.07521.1182-0.7540.7524-0.33240.25110.01770.7422-0.14750.16560.417-0.14210.3388-4.880398.708834.9493
470.93040.25720.26572.4261-1.07060.63240.39990.00590.53510.5804-0.5511-0.7801-0.23120.60820.15110.4378-0.04820.02960.6149-0.08350.32756.091297.451229.1543
480.94280.78640.14241.08630.39510.83020.06870.0519-0.02660.1306-0.07030.14030.08390.34490.02290.1820.01940.02650.209-0.00560.17920.023684.316816.2839
491.00381.15540.10021.59920.51210.5831-0.15920.0116-0.4446-0.26230.5349-0.4708-0.48720.8447-0.03470.36490.06430.11550.2963-0.00740.55221.844573.84595.7936
500.68680.85080.24591.11890.44520.46540.6716-0.2378-0.07050.53080.0493-1.17570.27140.2829-0.04260.3943-0.0001-0.07520.39260.12050.60975.129572.991818.6513
513.0594-0.75150.86893.1691-2.37321.84740.04860.05680.2527-1.5561-0.55030.0859-1.6922-0.55190.3221.76160.381-0.58750.5022-0.20380.44239.607269.44633.0849
520.4177-0.10140.25390.66950.22760.39250.01830.3287-0.0703-0.4849-0.0451-0.49450.09251.15510.00610.69020.0355-0.22840.615-0.01970.632921.181560.610336.4504
530.46480.18060.43090.4932-0.14790.9157-0.08790.2251-0.0452-0.143-0.0786-0.08870.7780.1002-0.02140.75580.1258-0.31970.3333-0.06160.365410.063358.780130.8834
540.89320.116-0.00293.3630.26791.32490.25-0.25010.01250.4512-0.23450.01070.7816-0.37310.17680.2788-0.00770.01240.2070.01740.1938-8.207764.971914.538
551.37010.29050.15561.72020.82062.0055-0.1995-0.0012-0.2128-0.06940.0445-0.08310.50960.06410.10220.27860.06370.05840.14750.05990.2197-3.120761.95834.7393
561.3883-0.1381-0.9661.57850.79070.9202-0.0785-0.2240.1130.25850.08530.14690.10220.12940.01470.21680.01290.03020.2086-0.00360.2196-7.821376.370614.2945
570.068-0.1886-0.1121.19270.16560.38560.0106-0.0765-0.06860.0848-0.170.3525-0.1784-0.29380.14520.2133-0.02720.05210.2716-0.02310.3188-18.851674.65546.9975
580.2197-0.21670.50261.03650.23632.18560.1788-0.0668-0.0301-0.0356-0.05150.66570.2325-0.56340.02660.2218-0.01980.07290.2841-0.040.4374-19.648784.797312.3937
591.7495-0.51020.46281.37281.05211.27460.1520.36040.57960.1657-0.240.6286-0.5446-0.30970.16010.3380.125-0.00010.2537-0.02620.5249-18.8124101.01025.4093
600.6762-0.52780.60362.01240.53181.17080.0841-0.19790.37040.02820.07660.8016-0.1715-0.64620.1560.26610.06390.0240.4254-0.13070.5084-21.286598.061612.2252
610.82570.1703-0.8271.67970.03940.83770.22150.35040.1253-0.7753-0.1430.54540.1882-0.63960.05290.3954-0.009-0.1170.36310.02540.2492-6.845670.3107-28.2521
620.81910.046-0.85471.20810.5421.1573-0.04580.2268-0.193-0.2065-0.14580.55040.4075-0.39030.16230.282-0.0277-0.07780.2203-0.03990.2368-9.733164.1916-20.1775
630.87960.2193-0.93221.67950.17231.0471-0.0353-0.0923-0.0130.1173-0.02060.01130.01350.10780.03940.2092-0.0268-0.07920.1911-0.00110.182-3.336269.8188-14.6855
640.3693-0.6651-0.65982.45790.84091.577-0.3325-0.1202-0.28950.3670.0802-0.13050.76280.4130.14930.33240.06760.03530.19350.0060.2696-1.193755.9236-10.1754
650.6832-0.3915-0.42441.04971.28371.53860.0160.17290.0127-0.54830.09990.08890.0692-0.08740.00580.4048-0.0276-0.06650.2750.02060.1442-0.770865.794-28.6015
661.92850.03570.05590.99530.09140.63480.06990.3209-0.499-0.51770.092-0.00330.70680.1703-0.08010.440.0352-0.02270.3329-0.04570.27134.140158.8477-27.6046
671.45270.099-0.37411.0578-0.12720.3259-0.20630.0521-0.3553-0.20090.252-0.31770.18650.4722-0.020.4559-0.03270.01070.3817-0.00180.28438.870366.96-30.5379
681.2374-0.2566-0.16650.4170.06371.0269-0.1052-0.12710.2590.01330.137-0.0924-0.15330.17590.01170.2121-0.0022-0.06910.1790.00830.26251.04580.2399-14.9984
690.95442.15650.67766.09821.08730.692-0.2719-0.3865-0.3261-0.32530.5232-1.9072-0.15610.23690.12430.4685-0.0235-0.16840.33660.03970.81088.00390.6234-11.0179
707.31033.0422-3.45282.5667-1.95212.0061-1.3620.0741-0.8338-0.20210.5784-0.24020.2389-0.1238-0.04980.7036-0.0817-0.17530.4852-0.07430.466312.547291.3688-23.9802
711.0837-0.5263-0.0830.57050.18750.36090.3476-0.22760.7368-0.1286-0.5258-0.5170.3790.1577-0.21921.2975-0.15150.45461.1644-0.02281.820819.773101.6936-30.6503
722.0372-0.2213-0.84821.18931.09421.97640.31380.35070.6779-0.62130.05260.3669-0.7706-0.273-0.19380.3843-0.022-0.02620.18880.02840.2694-1.745798.4117-19.338
730.72140.0034-0.34721.86130.29541.02560.04980.48160.01120.0398-0.1367-0.3743-0.23190.1490.09890.1858-0.0229-0.04840.27050.07460.43461.5753100.594-11.3251
740.7861.0072-0.02371.6920.88812.39370.0632-0.10170.60530.20510.1951-0.1813-0.45970.2502-0.00710.2034-0.037-0.01120.1970.02570.2884-2.8254103.0442-4.5663
750.97710.25420.79572.32920.78891.8838-0.0460.18460.0125-0.3505-0.02370.3518-0.01020.06090.02280.25530.0228-0.06280.19740.02820.1935-4.679290.563-14.9254
760.61680.41720.24651.94311.01421.8808-0.12840.08010.245-0.1311-0.00130.1090.0250.02360.04140.22860.0095-0.09240.22750.01750.2691-8.426482.7675-14.3049
770.43260.60520.75411.97460.85991.3353-0.195-0.40870.1328-0.0088-0.3310.9499-0.5431-0.60540.20590.2170.1015-0.2010.2694-0.03280.4562-17.99389.9402-14.5257
781.1807-0.11720.76752.55360.69931.33310.06890.02810.1849-0.1506-0.17580.8069-0.186-0.46970.11040.26180.0248-0.15920.2487-0.00990.3442-17.188878.2466-18.2402
791.65740.9776-0.02924.56730.77340.1567-0.1260.0326-0.68480.4510.23261.31750.7362-0.276-0.22210.4141-0.08760.00340.17630.01090.5272-16.355959.1849-9.9996
802.60250.2253-0.95530.3571.04234.1115-0.08370.5541-0.282-0.2251-0.29040.80180.9683-0.3616-0.11820.2224-0.1641-0.15260.4246-0.07030.412-21.007567.293-20.2694
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(chain A and resid 1:17)
2X-RAY DIFFRACTION2(chain A and resid 18:25)
3X-RAY DIFFRACTION3(chain A and resid 26:52)
4X-RAY DIFFRACTION4(chain A and resid 53:60)
5X-RAY DIFFRACTION5(chain A and resid 61:82)
6X-RAY DIFFRACTION6(chain A and resid 83:91)
7X-RAY DIFFRACTION7(chain A and resid 92:97)
8X-RAY DIFFRACTION8(chain A and resid 98:113)
9X-RAY DIFFRACTION9(chain A and resid 114:127)
10X-RAY DIFFRACTION10(chain A and resid 128:150)
11X-RAY DIFFRACTION11(chain A and resid 151:164)
12X-RAY DIFFRACTION12(chain A and resid 165:177)
13X-RAY DIFFRACTION13(chain A and resid 178:744)
14X-RAY DIFFRACTION14(chain A and resid 745:767)
15X-RAY DIFFRACTION15(chain A and resid 768:778)
16X-RAY DIFFRACTION16(chain A and resid 779:827)
17X-RAY DIFFRACTION17(chain A and resid 828:840)
18X-RAY DIFFRACTION18(chain A and resid 841:848)
19X-RAY DIFFRACTION19(chain A and resid 849:873)
20X-RAY DIFFRACTION20(chain A and resid 874:882)
21X-RAY DIFFRACTION21(chain B and resid 1:6)
22X-RAY DIFFRACTION22(chain B and resid 7:53)
23X-RAY DIFFRACTION23(chain B and resid 54:62)
24X-RAY DIFFRACTION24(chain B and resid 63:86)
25X-RAY DIFFRACTION25(chain B and resid 87:102)
26X-RAY DIFFRACTION26(chain B and resid 103:121)
27X-RAY DIFFRACTION27(chain B and resid 122:147)
28X-RAY DIFFRACTION28(chain B and resid 148:160)
29X-RAY DIFFRACTION29(chain B and resid 161:731)
30X-RAY DIFFRACTION30(chain B and resid 732:739)
31X-RAY DIFFRACTION31(chain B and resid 740:757)
32X-RAY DIFFRACTION32(chain B and resid 758:762)
33X-RAY DIFFRACTION33(chain B and resid 763:776)
34X-RAY DIFFRACTION34(chain B and resid 777:791)
35X-RAY DIFFRACTION35(chain B and resid 792:814)
36X-RAY DIFFRACTION36(chain B and resid 815:828)
37X-RAY DIFFRACTION37(chain B and resid 829:842)
38X-RAY DIFFRACTION38(chain B and resid 843:861)
39X-RAY DIFFRACTION39(chain B and resid 862:874)
40X-RAY DIFFRACTION40(chain B and resid 875:882)
41X-RAY DIFFRACTION41(chain C and resid 1:7)
42X-RAY DIFFRACTION42(chain C and resid 8:23)
43X-RAY DIFFRACTION43(chain C and resid 24:48)
44X-RAY DIFFRACTION44(chain C and resid 49:62)
45X-RAY DIFFRACTION45(chain C and resid 63:98)
46X-RAY DIFFRACTION46(chain C and resid 99:108)
47X-RAY DIFFRACTION47(chain C and resid 109:122)
48X-RAY DIFFRACTION48(chain C and resid 123:143)
49X-RAY DIFFRACTION49(chain C and resid 144:150)
50X-RAY DIFFRACTION50(chain C and resid 151:164)
51X-RAY DIFFRACTION51(chain C and resid 165:173)
52X-RAY DIFFRACTION52(chain C and resid 174:727)
53X-RAY DIFFRACTION53(chain C and resid 728:740)
54X-RAY DIFFRACTION54(chain C and resid 741:760)
55X-RAY DIFFRACTION55(chain C and resid 761:796)
56X-RAY DIFFRACTION56(chain C and resid 797:824)
57X-RAY DIFFRACTION57(chain C and resid 825:846)
58X-RAY DIFFRACTION58(chain C and resid 847:867)
59X-RAY DIFFRACTION59(chain C and resid 868:874)
60X-RAY DIFFRACTION60(chain C and resid 875:882)
61X-RAY DIFFRACTION61(chain D and resid 1:7)
62X-RAY DIFFRACTION62(chain D and resid 8:23)
63X-RAY DIFFRACTION63(chain D and resid 24:58)
64X-RAY DIFFRACTION64(chain D and resid 59:67)
65X-RAY DIFFRACTION65(chain D and resid 68:87)
66X-RAY DIFFRACTION66(chain D and resid 88:107)
67X-RAY DIFFRACTION67(chain D and resid 108:127)
68X-RAY DIFFRACTION68(chain D and resid 128:146)
69X-RAY DIFFRACTION69(chain D and resid 147:156)
70X-RAY DIFFRACTION70(chain D and resid 157:728)
71X-RAY DIFFRACTION71(chain D and resid 729:736)
72X-RAY DIFFRACTION72(chain D and resid 737:760)
73X-RAY DIFFRACTION73(chain D and resid 761:777)
74X-RAY DIFFRACTION74(chain D and resid 778:792)
75X-RAY DIFFRACTION75(chain D and resid 793:814)
76X-RAY DIFFRACTION76(chain D and resid 815:829)
77X-RAY DIFFRACTION77(chain D and resid 830:845)
78X-RAY DIFFRACTION78(chain D and resid 846:870)
79X-RAY DIFFRACTION79(chain D and resid 871:876)
80X-RAY DIFFRACTION80(chain D and resid 877:882)

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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

-
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

+
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