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- PDB-8oiw: Crystal structure of the cysteine-rich Gallus gallus urate oxidas... -

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基本情報

登録情報
データベース: PDB / ID: 8oiw
タイトルCrystal structure of the cysteine-rich Gallus gallus urate oxidase in complex with the 8-azaxanthine inhibitor under oxidising conditions (space group P 21 21 21)
要素(Uricase尿酸オキシダーゼ) x 2
キーワードOXIDOREDUCTASE (酸化還元酵素) / COFACTOR-FREE OXIDASE / INHIBITOR (酵素阻害剤) / DIOXYGEN BINDING / CYSTEINE (システイン)
機能・相同性factor-independent urate hydroxylase / 尿酸オキシダーゼ / 尿酸オキシダーゼ / purine nucleobase metabolic process / ペルオキシソーム / oxidoreductase activity / 8-AZAXANTHINE / OXYGEN MOLECULE / 尿酸オキシダーゼ
機能・相同性情報
生物種Gallus gallus (ニワトリ)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 1.89 Å
データ登録者Di Palma, M. / Chegkazi, M. / Bui, S. / Mori, G. / Percudani, R. / Steiner, R.A.
資金援助 英国, イタリア, 2件
組織認可番号
Biotechnology and Biological Sciences Research Council (BBSRC)BB/P000169/1 英国
Italian Ministry of Education2017483NH8 イタリア
引用ジャーナル: Mol.Biol.Evol. / : 2023
タイトル: Cysteine Enrichment Mediates Co-Option of Uricase in Reptilian Skin and Transition to Uricotelism.
著者: Mori, G. / Liuzzi, A. / Ronda, L. / Di Palma, M. / Chegkazi, M.S. / Bui, S. / Garcia-Maya, M. / Ragazzini, J. / Malatesta, M. / Della Monica, E. / Rivetti, C. / Antin, P.B. / Bettati, S. / ...著者: Mori, G. / Liuzzi, A. / Ronda, L. / Di Palma, M. / Chegkazi, M.S. / Bui, S. / Garcia-Maya, M. / Ragazzini, J. / Malatesta, M. / Della Monica, E. / Rivetti, C. / Antin, P.B. / Bettati, S. / Steiner, R.A. / Percudani, R.
履歴
登録2023年3月23日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02024年1月17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
AAA: Uricase
BBB: Uricase
CCC: Uricase
DDD: Uricase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)158,77136
ポリマ-156,8084
非ポリマー1,96432
10,755597
1


  • 登録構造と同一
  • 登録者が定義した集合体
  • 根拠: gel filtration
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area31100 Å2
ΔGint-207 kcal/mol
Surface area43600 Å2
単位格子
Length a, b, c (Å)101.775, 124.859, 128.265
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID詳細
11AAA
21BBB
32AAA
42CCC
53AAA
63DDD
74BBB
84CCC
95BBB
105DDD
116CCC
126DDD

NCSドメイン領域:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111VALVALALAALAAAAA4 - 29927 - 322
211VALVALALAALABBBB4 - 29927 - 322
322VALVALALAALAAAAA4 - 29927 - 322
422VALVALALAALACCCC4 - 29927 - 322
533VALVALGLNGLNAAAA4 - 30027 - 323
633VALVALGLNGLNDDDD4 - 30027 - 323
744GLNGLNALAALABBBB3 - 29926 - 322
844GLNGLNALAALACCCC3 - 29926 - 322
955VALVALALAALABBBB4 - 29927 - 322
1055VALVALALAALADDDD4 - 29927 - 322
1166VALVALALAALACCCC4 - 29927 - 322
1266VALVALALAALADDDD4 - 29927 - 322

NCSアンサンブル:
ID詳細
1Local NCS retraints between domains: 1 2
2Local NCS retraints between domains: 3 4
3Local NCS retraints between domains: 5 6
4Local NCS retraints between domains: 7 8
5Local NCS retraints between domains: 9 10
6Local NCS retraints between domains: 11 12

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要素

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タンパク質 , 2種, 4分子 AAABBBCCCDDD

#1: タンパク質 Uricase / 尿酸オキシダーゼ / Urate oxidase


分子量: 39189.883 Da / 分子数: 1 / 由来タイプ: 組換発現 / 由来: (組換発現) Gallus gallus (ニワトリ) / 遺伝子: LOC101747367 / 発現宿主: Escherichia coli (大腸菌)
参照: UniProt: A0A8V0ZED1, factor-independent urate hydroxylase
#2: タンパク質 Uricase / 尿酸オキシダーゼ / Urate oxidase


分子量: 39205.883 Da / 分子数: 3 / 由来タイプ: 組換発現 / 由来: (組換発現) Gallus gallus (ニワトリ) / 遺伝子: LOC101747367 / 発現宿主: Escherichia coli (大腸菌)
参照: UniProt: A0A8V0ZED1, factor-independent urate hydroxylase

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非ポリマー , 5種, 629分子

#3: 化合物
ChemComp-AZA / 8-AZAXANTHINE / 8-アザキサンチン


分子量: 153.099 Da / 分子数: 4 / 由来タイプ: 合成 / : C4H3N5O2 / タイプ: SUBJECT OF INVESTIGATION
#4: 化合物
ChemComp-OXY / OXYGEN MOLECULE / ペルオキシド / 酸素


分子量: 31.999 Da / 分子数: 4 / 由来タイプ: 合成 / : O2 / タイプ: SUBJECT OF INVESTIGATION
#5: 化合物
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / エチレングリコ-ル / エチレングリコール


分子量: 62.068 Da / 分子数: 14 / 由来タイプ: 合成 / : C2H6O2
#6: 化合物
ChemComp-CL / CHLORIDE ION / クロリド / 塩化物


分子量: 35.453 Da / 分子数: 10 / 由来タイプ: 合成 / : Cl
#7: 水 ChemComp-HOH / water /


分子量: 18.015 Da / 分子数: 597 / 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

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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: 2.6 Å3/Da / 溶媒含有率: 52.67 %
結晶化温度: 291.15 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 7.5
詳細: His6-tagged GgUOX at approx. 22 mg/ml in 50 mM Tris-HCl pH 8.0, 10 mM NaCl, 1 mM TCEP-HCl was incubated with a 20-fold molar excess of AZA. Crystals were obtained by mixing the protein with 0. ...詳細: His6-tagged GgUOX at approx. 22 mg/ml in 50 mM Tris-HCl pH 8.0, 10 mM NaCl, 1 mM TCEP-HCl was incubated with a 20-fold molar excess of AZA. Crystals were obtained by mixing the protein with 0.8M K/Na tartrate tetrahydrate, 0.1 M HEPES pH 7.5 using a 1:1 ratio. Crystals were transferred into cryoprotective solutions supplemented with 100 mM H2O2 and devoid of the TCEP-HCl reducing agent for approximately 15 minutes prior to cryocooling in liquid nitrogen.

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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: I04 / 波長: 0.97948 Å
検出器タイプ: DECTRIS PILATUS3 6M / 検出器: PIXEL / 日付: 2021年9月18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: 0.97948 Å / 相対比: 1
反射解像度: 1.89→78.89 Å / Num. obs: 131041 / % possible obs: 100 % / 冗長度: 13.5 % / CC1/2: 0.998 / Rmerge(I) obs: 0.17 / Rpim(I) all: 0.048 / Net I/σ(I): 7.6
反射 シェル解像度: 1.89→1.92 Å / 冗長度: 11.4 % / Rmerge(I) obs: 0.405 / Mean I/σ(I) obs: 0.3 / Num. unique obs: 6365 / CC1/2: 0.253 / Rpim(I) all: 0.123 / % possible all: 98.1

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解析

ソフトウェア
名称バージョン分類
REFMAC5.8.0267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 / 解像度: 1.89→78.888 Å / Cor.coef. Fo:Fc: 0.968 / Cor.coef. Fo:Fc free: 0.96 / SU B: 10.963 / SU ML: 0.141 / 交差検証法: FREE R-VALUE / ESU R: 0.132 / ESU R Free: 0.122 / 詳細: Hydrogens have been added in their riding positions
Rfactor反射数%反射
Rfree0.2145 6233 4.868 %
Rwork0.1881 121801 -
all0.189 --
obs-128034 97.677 %
溶媒の処理イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK BULK SOLVENT
原子変位パラメータBiso mean: 41.869 Å2
Baniso -1Baniso -2Baniso -3
1--0.517 Å20 Å2-0 Å2
2---0.129 Å20 Å2
3---0.646 Å2
精密化ステップサイクル: LAST / 解像度: 1.89→78.888 Å
タンパク質核酸リガンド溶媒全体
原子数9620 0 118 597 10335
拘束条件
Refine-IDタイプDev idealDev ideal target
X-RAY DIFFRACTIONr_bond_refined_d0.0080.01310111
X-RAY DIFFRACTIONr_bond_other_d0.0010.0159467
X-RAY DIFFRACTIONr_angle_refined_deg1.4141.65313678
X-RAY DIFFRACTIONr_angle_other_deg1.251.57921840
X-RAY DIFFRACTIONr_dihedral_angle_1_deg7.23851232
X-RAY DIFFRACTIONr_dihedral_angle_2_deg32.12322.593540
X-RAY DIFFRACTIONr_dihedral_angle_3_deg15.352151762
X-RAY DIFFRACTIONr_dihedral_angle_4_deg14.3661561
X-RAY DIFFRACTIONr_chiral_restr0.0670.21312
X-RAY DIFFRACTIONr_gen_planes_refined0.0060.0211595
X-RAY DIFFRACTIONr_gen_planes_other0.0010.022383
X-RAY DIFFRACTIONr_nbd_refined0.1940.21554
X-RAY DIFFRACTIONr_symmetry_nbd_other0.1760.28491
X-RAY DIFFRACTIONr_nbtor_refined0.1630.24717
X-RAY DIFFRACTIONr_symmetry_nbtor_other0.0740.25148
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.1740.2542
X-RAY DIFFRACTIONr_symmetry_xyhbond_nbd_other0.10.21
X-RAY DIFFRACTIONr_symmetry_nbd_refined0.1420.225
X-RAY DIFFRACTIONr_nbd_other0.2190.258
X-RAY DIFFRACTIONr_symmetry_xyhbond_nbd_refined0.2990.213
X-RAY DIFFRACTIONr_mcbond_it1.2592.9344874
X-RAY DIFFRACTIONr_mcbond_other1.2592.9344873
X-RAY DIFFRACTIONr_mcangle_it24.3956118
X-RAY DIFFRACTIONr_mcangle_other24.3956119
X-RAY DIFFRACTIONr_scbond_it1.7183.1525237
X-RAY DIFFRACTIONr_scbond_other1.7183.1535238
X-RAY DIFFRACTIONr_scangle_it2.7224.6237558
X-RAY DIFFRACTIONr_scangle_other2.7224.6247559
X-RAY DIFFRACTIONr_lrange_it4.77433.87710667
X-RAY DIFFRACTIONr_lrange_other4.77333.88210668
X-RAY DIFFRACTIONr_ncsr_local_group_10.0550.059414
X-RAY DIFFRACTIONr_ncsr_local_group_20.0510.059454
X-RAY DIFFRACTIONr_ncsr_local_group_30.0520.059451
X-RAY DIFFRACTIONr_ncsr_local_group_40.0590.059393
X-RAY DIFFRACTIONr_ncsr_local_group_50.0550.059386
X-RAY DIFFRACTIONr_ncsr_local_group_60.0470.059410
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDタイプRms dev position (Å)Weight position
11AAAX-RAY DIFFRACTIONLocal ncs0.055430.05009
12BBBX-RAY DIFFRACTIONLocal ncs0.055430.05009
23AAAX-RAY DIFFRACTIONLocal ncs0.0510.05009
24CCCX-RAY DIFFRACTIONLocal ncs0.0510.05009
35AAAX-RAY DIFFRACTIONLocal ncs0.05190.05009
36DDDX-RAY DIFFRACTIONLocal ncs0.05190.05009
47BBBX-RAY DIFFRACTIONLocal ncs0.059140.05009
48CCCX-RAY DIFFRACTIONLocal ncs0.059140.05009
59BBBX-RAY DIFFRACTIONLocal ncs0.05450.05009
510DDDX-RAY DIFFRACTIONLocal ncs0.05450.05009
611CCCX-RAY DIFFRACTIONLocal ncs0.046960.05009
612DDDX-RAY DIFFRACTIONLocal ncs0.046960.05009
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.89-1.9380.3683450.3886400X-RAY DIFFRACTION70.3263
1.938-1.9910.3724280.3568748X-RAY DIFFRACTION97.8982
1.991-2.0490.3144180.3218643X-RAY DIFFRACTION100
2.049-2.1120.2984240.2988404X-RAY DIFFRACTION100
2.112-2.1810.2814440.2768160X-RAY DIFFRACTION100
2.181-2.2580.2644310.2527882X-RAY DIFFRACTION100
2.258-2.3430.2533830.2397628X-RAY DIFFRACTION100
2.343-2.4390.2653750.2277358X-RAY DIFFRACTION100
2.439-2.5470.2373570.217074X-RAY DIFFRACTION100
2.547-2.6710.2343460.1976751X-RAY DIFFRACTION100
2.671-2.8150.2283680.1896395X-RAY DIFFRACTION100
2.815-2.9860.1983000.1846139X-RAY DIFFRACTION100
2.986-3.1920.2172850.1665723X-RAY DIFFRACTION100
3.192-3.4470.2082670.1735363X-RAY DIFFRACTION100
3.447-3.7750.1982540.1664958X-RAY DIFFRACTION100
3.775-4.220.1842230.1484502X-RAY DIFFRACTION100
4.22-4.870.1442200.1183982X-RAY DIFFRACTION100
4.87-5.9590.1921740.163412X-RAY DIFFRACTION100
5.959-8.4040.2271030.1762708X-RAY DIFFRACTION100
8.404-78.8880.172880.1741571X-RAY DIFFRACTION100
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)
12.8028-0.0741-4.59240.93722.081611.81020.3179-0.08190.24950.1462-0.05530.128-0.1923-0.1498-0.26260.22020.01940.00020.21860.03690.23246.264842.689554.0953
21.9858-0.14730.40113.41675.209410.61610.07070.0555-0.0104-0.05230.1864-0.1483-0.18360.1954-0.2570.06820.00890.02160.02620.01890.08176.430124.829925.7234
33.12971.02862.63714.09993.69399.9248-0.0060.2575-0.0398-0.14330.09010.0345-0.1641-0.2194-0.08410.12310.03020.01660.12170.00760.13036.180117.77174.989
40.3057-0.7197-1.64311.70233.89399.0581-0.0163-0.05120.04570.04570.1226-0.0755-0.01190.2021-0.10630.10370.0662-0.01460.048-0.02330.14474.413933.184835.1331
51.4833-0.3761-1.80191.00761.36339.8888-0.01190.0904-0.0198-0.0643-0.00460.07240.0431-0.26210.01650.0570.0316-0.00670.0368-0.00920.1198-2.119627.939629.0674
69.7464-3.5943-9.43812.98413.673711.0640.10820.05290.1828-0.1916-0.03410.0061-0.2134-0.0948-0.07410.08530.0218-0.04210.01660.01450.08871.924635.140221.5869
78.215-7.8507-6.66559.17557.42776.1026-0.0147-0.11780.20960.00910.2161-0.3231-0.02220.1593-0.20150.09030.0193-0.03990.0163-0.00330.08598.901432.331526.0292
83.1087-0.6828-2.83160.57432.19678.57180.1414-0.08620.1031-0.03660.0351-0.082-0.1460.1242-0.17650.108-0.00330.00050.0398-0.00730.143718.096115.21024.8113
90.02030.06430.15884.54915.21996.61450.00330.02220.0286-0.09720.0847-0.1603-0.09490.2869-0.0880.0597-0.00250.02890.06060.01560.06317.519619.279110.1665
107.5532-4.5217-7.710310.73087.22968.72650.1929-0.10190.33560.19210.2747-0.6939-0.08440.1793-0.46750.09710.02240.01480.02380.0340.20725.810543.280325.7559
117.2338-0.46430.45631.66480.29820.2894-0.0235-0.0135-0.44720.0194-0.02430.0209-0.05470.0240.04780.1191-0.02610.02430.00950.00720.08131.487531.287517.1506
121.49320.18111.60850.9464-0.87257.39650.1276-0.00070.0490.03970.0254-0.366-0.05611.0076-0.1530.0946-0.04050.00460.2771-0.09160.36550.502539.314429.3811
138.8465-2.07951.40180.66180.01531.0939-0.0246-0.12950.08530.01710.02790.0141-0.0516-0.0748-0.00330.0942-0.01120.01340.02640.0210.140329.222234.815319.8624
144.3881-0.5481-5.24882.2333-3.386714.0809-0.2428-0.20780.0952-0.25970.1609-0.06260.87510.27640.08190.2488-0.00420.0090.34380.05970.24858.224844.964713.9243
1511.0719-3.06614.94225.2884-1.77862.72440.19050.7575-0.0701-0.5279-0.21810.21-0.0864-0.05020.02760.20370.157-0.05730.3907-0.0410.121717.493935.97539.3741
1613.2279-1.2667-5.43253.77331.16755.4640.17320.76440.5101-0.6419-0.12820.0441-0.067-0.1822-0.04510.1889-0.0080.01740.08120.06640.140834.799535.3588.3813
176.8095-1.25041.70181.46630.01561.8135-0.03550.28580.2726-0.238-0.0262-0.0382-0.0726-0.05280.06170.1148-0.01340.0190.02650.01210.174930.645741.093517.4164
1811.0703-4.22525.55583.0365-3.33894.54450.0907-0.23550.5060.0864-0.1502-0.4769-0.17660.42450.05950.1744-0.08020.04470.2337-0.14120.375552.415521.463222.8349
197.9558-7.5616.01479.2737-7.91298.2689-0.17560.08360.4596-0.0149-0.0458-0.3766-0.14350.00760.22140.1269-0.023-0.00420.0137-0.01780.121230.740739.793925.2155
203.5123-1.68273.61888.1705-0.46583.9505-0.12570.03060.4385-0.009-0.41040.232-0.1371-0.00520.53610.2408-0.0120.02360.30960.01090.267517.378354.923819.7891
211.82391.0333-3.99551.9957-2.22518.8090.0733-0.1348-0.1630.0798-0.32990.0994-0.14060.2250.25660.22350.0174-0.01980.24660.04010.27740.7366-15.308254.9402
220.3186-1.08591.23916.4204-5.99359.504-0.1314-0.02140.0040.1157-0.1172-0.3763-0.0165-0.01850.24860.16630.01610.02340.1488-0.01790.152641.8931-13.693342.8177
232.2743-0.1492-0.70319.9135-9.11699.6062-0.08480.12230.06930.0810.35610.0452-0.1098-0.33-0.27120.03940.0024-0.01580.0245-0.01280.077944.57612.040625.1091
242.53331.3709-2.46776.1108-2.77255.86340.04130.13650.2181-0.28330.06250.06130.1080.4099-0.10380.13420.011-0.01440.16660.00790.149146.756822.79237.4071
251.8308-2.9992.09738.3542-5.59614.3594-0.0655-0.07650.00640.16590.0906-0.00540.0172-0.0693-0.02510.08350.01230.00650.0703-0.03440.097944.79952.649327.512
261.07380.13290.24761.2072-0.75515.2656-0.07350.04810.1397-0.0707-0.0883-0.27470.00980.31630.16170.0320.01740.01880.03770.0190.161550.64234.717426.8292
271.0597-1.06540.24914.6762-1.7521.5350.09590.0951-0.0677-0.35450.00080.17650.12710.0132-0.09670.074-0.00060.03120.0275-0.02510.074742.723312.064216.0703
281.0079-0.61850.56288.2911-2.15210.730.0128-0.01680.0067-0.18360.0810.48890.0502-0.033-0.09380.1120.01230.01870.0976-0.00150.116331.649214.497315.0118
293.3882-3.18674.87611.9361-4.35227.02530.2239-0.0251-0.1294-0.2288-0.04140.2430.3248-0.0259-0.18260.08980.02010.01830.0683-0.00390.161745.8009-7.108620.1359
305.5989-0.0136-0.23961.48610.43780.22830.0427-0.19550.3386-0.0283-0.0141-0.10630.0177-0.0382-0.02860.0674-0.02350.00120.03-0.01220.041619.3186.301813.6072
314.86690.2373-3.21450.32470.36493.11210.19090.45790.42150.033-0.06010.1886-0.0387-0.6299-0.13080.119-0.0422-0.04520.30190.190.31540.0287-4.004221.2514
327.314-1.7504-1.30150.78130.18240.28260.0474-0.06610.09850.0279-0.0137-0.0309-0.0190.0297-0.03370.1075-0.0002-0.00680.08550.00590.087120.37373.736515.726
330.2385-0.102-0.12250.77260.20440.0957-0.11740.0682-0.1332-0.08150.1122-0.20290.04420.00010.00510.1989-0.00310.02050.2697-0.01570.307742.1723-4.9938.8835
349.6981-0.14330.08890.0461-0.08370.682-0.06140.39580.0848-0.081-0.0052-0.03150.03810.13290.06660.1904-0.01940.02640.08260.00080.108130.1694.75955.8828
357.9302-1.4973-4.41965.6271-6.084311.4318-0.00730.3389-0.4408-0.4822-0.22170.12040.6020.02160.2290.16410.0122-0.04270.021-0.0070.129712.82676.17870.2807
367.0996-1.3565-1.49212.2662-0.40331.75230.00880.3966-0.1318-0.3214-0.0242-0.11790.20850.06160.01540.10070-0.00690.0463-0.01580.036422.0015-3.5939.1255
378.5632-5.2164-1.11563.26660.71870.3391-0.077-0.0126-0.24710.1146-0.00070.23780.014-0.15190.07770.1502-0.01160.01360.13630.00420.13765.77569.789420.7028
3811.4487-0.8425-6.823.23151.79924.64790.03240.31230.0024-0.2419-0.12880.2973-0.0974-0.3620.09640.1433-0.0278-0.02820.33020.04410.1191-1.25316.666619.0101
396.4024-1.4588-6.11611.813.989510.48070.20130.6114-0.3637-0.1776-0.41680.0111-0.3459-0.97550.21550.16020.0936-0.02980.17530.00750.055220.5206-3.499718.7201
400.54530.5742-1.17159.6073-0.96062.5354-0.0427-0.0292-0.11110.1741-0.1911-0.10.1360.0240.23390.223-0.02830.00010.24170.0010.264835.0356-17.246211.4082
410.9351-0.8898-2.25791.06592.5788.85750.08730.1897-0.0033-0.1923-0.0090.04110.0962-0.0422-0.07830.2322-0.00980.01040.210.030.242824.3509-14.34146.83
423.6471-1.936-4.37914.21874.628610.89150.1445-0.06710.21090.00350.1357-0.1218-0.06190.1866-0.28020.0389-0.0188-0.03610.01660.02310.075611.33540.908835.235
439.4678-0.6379-8.48243.9414.342512.4745-0.0349-0.383-0.15520.3127-0.17660.25990.3262-0.29110.21150.18290.0064-0.02970.18540.0420.10535.38976.389454.3712
441.1313-1.3603-2.20011.882.01197.02710.1139-0.03670.148-0.22830.0392-0.30860.06440.2427-0.15310.1161-0.03630.00610.0470.00160.166914.6782-8.185424.1455
451.0189-0.5254-0.92781.72692.40979.41-0.0539-0.0338-0.01050.0676-0.04950.1170.0743-0.19710.10350.0574-0.0342-0.00240.03050.00680.13155.481-5.30631.4055
467.07395.11167.54686.38116.775710.7921-0.0984-0.0552-0.13910.24460.0973-0.05850.23060.09310.00110.07410.01470.02430.02330.02920.084311.9168-9.866140.2001
471.48751.55371.99948.89055.62494.6593-0.06790.07580.03560.16230.1449-0.11540.14010.1151-0.0770.088-0.0040.00050.02030.02410.061115.6616-6.078434.6491
480.81970.62840.82072.23814.15318.34920.0625-0.13970.05920.08190.0987-0.1075-0.10260.1627-0.16120.16490.0287-0.00920.13920.00150.146314.007513.977757.2848
492.6951-3.349-2.82844.17243.51194.8302-0.2502-0.32270.28780.33860.3933-0.37840.06280.1751-0.14310.12020.0162-0.05510.0699-0.03040.106816.245910.202652.1115
504.6171-0.19082.85036.65178.204812.19340.34250.208-0.09330.14170.0984-0.32950.42140.2509-0.44090.1537-0.0047-0.00540.01720.00650.135719.0673-16.0235.565
512.37971.5817-1.09711.5258-0.68280.58440.0090.03590.14960.02440.01120.0513-0.02440.0378-0.02020.08250.0126-0.06260.05510.02470.078939.13785.930246.3795
521.03521.18341.7252.09010.23757.55160.22470.4569-0.23740.33720.4214-0.349-0.12521.2759-0.64610.1777-0.04810.01920.3366-0.20020.503457.888.912137.4518
537.13516.44610.78796.32860.20240.7349-0.21730.18510.1839-0.16550.25220.1197-0.00450.002-0.03490.07680.0318-0.01420.0556-0.05030.103735.12032.046844.4052
540.1269-0.5555-1.00822.68184.90398.9763-0.01040.0276-0.0814-0.0144-0.13820.107-0.008-0.26370.14860.21520.00640.00150.1883-00.32220.6853-15.737248.7788
5511.97278.0179-1.66198.2381-1.49670.3620.0382-0.7359-0.11540.34760.0087-0.0107-0.0486-0.0491-0.04690.11350.0518-0.00610.22230.06930.038725.9616-3.131353.2087
565.9962.61670.40645.31453.9038.9421-0.0035-0.4432-0.08360.66490.0291-0.03650.34350.0163-0.02560.17390.0304-0.02750.07050.02070.07540.23534.721457.5214
574.17442.9216-1.46682.6557-0.88761.78-0.0356-0.07340.00240.08260.08-0.17170.00140.0075-0.04440.07230.0422-0.02780.0369-0.03250.063338.9077-3.048147.2064
588.51215.0442-1.85467.5147-1.53334.06150.0934-0.2060.07490.0664-0.1207-0.6082-0.15360.51320.02730.10.0265-0.0230.12790.00910.220249.81924.589544.568
592.41633.8538-1.946512.1097-8.88677.3565-0.0484-0.0606-0.20190.2864-0.1674-0.5787-0.20960.06840.21580.1190.0161-0.08610.02780.04590.203939.5707-1.485239.413
607.6969-0.7718-4.32593.7829-0.15332.5256-0.07550.0473-0.2438-0.0076-0.04490.10770.057-0.00810.12050.20630.0117-0.00020.2486-0.01540.204933.4073-21.024943.1177
612.98541.3111-0.39855.6991-5.857611.8051-0.14060.21690.4479-0.4806-0.1393-0.0853-0.00320.3630.27990.2402-0.0135-0.00310.2096-0.02280.310528.655952.263519.4498
623.2826-2.35293.54897.5593-8.829810.70070.0852-0.1954-0.03030.08160.13190.1533-0.0244-0.173-0.21720.0513-0.01160.03280.0291-0.04130.117339.353529.147341.9155
633.6012-0.63454.87749.53060.41587.3506-0.0639-0.1833-0.1290.2240.163-0.2364-0.24160.1595-0.09920.2049-0.0802-0.02680.29230.06130.135644.783618.646660.8294
640.456-0.4260.35037.8087-4.85163.6582-0.0057-0.0690.0609-0.15810.06740.08460.0941-0.0947-0.06170.0721-0.01830.01110.0696-0.04720.130635.188832.236342.5346
651.3395-0.4303-0.24272.2501-1.80274.9669-0.1463-0.0870.12280.1137-0.0941-0.3615-0.08490.22540.24040.0886-0.0319-0.02190.0418-0.02530.215741.167439.578838.9047
669.43553.5605-3.947711.3479-9.02119.15110.12820.03110.2280.39180.00880.1559-0.3067-0.1745-0.1370.1508-0.0373-0.03040.0308-0.02010.16140.203243.891944.8698
670.47161.3037-0.74447.3183-2.46651.22660.0206-0.0160.0276-0.00060.02290.129-0.00360.0176-0.04350.102-0.0214-0.02030.079-0.01530.113933.244336.83841.9283
687.07930.7103-0.96013.1857-4.94737.85070.1672-0.6404-0.15380.23550.0450.2216-0.1628-0.1202-0.21230.3336-0.02370.10820.0977-0.05130.180735.829311.896258.7115
693.381-6.49011.307612.5307-2.33040.95380.0481-0.0898-0.3116-0.05820.09280.58150.0845-0.2398-0.14090.0968-0.0294-0.01610.09640.01550.150327.302621.027348.8976
706.4282-0.0264-4.110712.2408-7.12126.79320.1160.13060.16480.52680.26690.5007-0.392-0.2366-0.38290.1570.00620.01290.0631-0.05740.202630.575146.956245.2019
718.16287.4578-0.10749.2157-0.14670.5386-0.03860.2945-0.1371-0.05380.1411-0.2194-0.0766-0.0382-0.10250.07130.0145-0.02060.02960.00390.055116.912523.650948.3081
727.0536-5.07246.844510.3321-8.60710.47080.0293-0.1808-0.0507-0.38870.33690.30260.3722-0.7146-0.36620.0951-0.02040.03060.15720.02850.1317-5.503324.164143.5878
733.24380.61181.6311.20060.58832.072-0.00890.122-0.13260.09050.0130.09260.0436-0.0473-0.00410.09420.02610.02380.0288-0.02480.11284.534824.70942.6901
741.11981.52480.71882.09310.97790.46660.1772-0.16060.00090.2467-0.1314-0.00260.0928-0.111-0.04580.37770.01210.00690.4780.0150.533127.54442.839857.4208
758.27174.05981.09492.1910.72820.36870.064-0.31480.03760.1795-0.0701-0.00140.10010.07650.00620.1780.0175-0.02550.1292-0.010.118619.916928.08157.4809
764.5916-4.77474.40924.9824-4.65639.7313-0.4618-0.38930.0120.51240.37370.0146-0.4723-0.32860.08810.1498-0.00190.06140.1065-0.01530.122.394321.349356.9279
776.47091.96132.90054.03642.38965.4716-0.1993-0.3690.22730.27760.09370.00290.0170.0510.10560.09130.05510.00520.0504-0.0120.103911.285832.192751.3325
787.70073.60873.21834.22463.98954.56310.03150.08340.1119-0.0017-0.17760.61490.071-0.42220.14610.12040.0246-0.03950.15110.08770.3835-0.45775.980739.5463
793.64843.29653.11729.15939.669312.1657-0.1213-0.21890.24070.3204-0.28690.28580.1084-0.26910.40820.12020.04020.02320.04920.02260.06449.998132.232643.3965
8015.5286-7.15674.976814.01121.87343.22580.0294-0.13940.3785-0.1293-0.2431-0.0533-0.042-0.21010.21370.3687-0.00410.02220.4193-0.02860.406115.249149.907953.3461
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelectionSelection details
1X-RAY DIFFRACTION1ALL{ AAA|4-12 }
2X-RAY DIFFRACTION2ALL{ AAA|13-27 }
3X-RAY DIFFRACTION3ALL{ AAA|28-36 }
4X-RAY DIFFRACTION4ALL{ AAA|37-53 }
5X-RAY DIFFRACTION5ALL{ AAA|54-79 }
6X-RAY DIFFRACTION6ALL{ AAA|80-98 }
7X-RAY DIFFRACTION7ALL{ AAA|99-111 }
8X-RAY DIFFRACTION8ALL{ AAA|112-118 }
9X-RAY DIFFRACTION9ALL{ AAA|119-136 }
10X-RAY DIFFRACTION10ALL{ AAA|137-147 }
11X-RAY DIFFRACTION11ALL{ AAA|148-164 }
12X-RAY DIFFRACTION12ALL{ AAA|165-181 }
13X-RAY DIFFRACTION13ALL{ AAA|182-195 }
14X-RAY DIFFRACTION14ALL{ AAA|196-199 }
15X-RAY DIFFRACTION15ALL{ AAA|200-210 }
16X-RAY DIFFRACTION16ALL{ AAA|211-225 }
17X-RAY DIFFRACTION17ALL{ AAA|226-258 }
18X-RAY DIFFRACTION18ALL{ AAA|259-280 }
19X-RAY DIFFRACTION19ALL{ AAA|281-294 }
20X-RAY DIFFRACTION20ALL{ AAA|295-300 }
21X-RAY DIFFRACTION21ALL{ BBB|-1-6 }
22X-RAY DIFFRACTION22ALL{ BBB|7-14 }
23X-RAY DIFFRACTION23ALL{ BBB|15-26 }
24X-RAY DIFFRACTION24ALL{ BBB|27-36 }
25X-RAY DIFFRACTION25ALL{ BBB|37-48 }
26X-RAY DIFFRACTION26ALL{ BBB|49-89 }
27X-RAY DIFFRACTION27ALL{ BBB|90-126 }
28X-RAY DIFFRACTION28ALL{ BBB|127-136 }
29X-RAY DIFFRACTION29ALL{ BBB|137-147 }
30X-RAY DIFFRACTION30ALL{ BBB|148-165 }
31X-RAY DIFFRACTION31ALL{ BBB|166-181 }
32X-RAY DIFFRACTION32ALL{ BBB|182-193 }
33X-RAY DIFFRACTION33ALL{ BBB|194-199 }
34X-RAY DIFFRACTION34ALL{ BBB|200-217 }
35X-RAY DIFFRACTION35ALL{ BBB|218-225 }
36X-RAY DIFFRACTION36ALL{ BBB|226-253 }
37X-RAY DIFFRACTION37ALL{ BBB|254-266 }
38X-RAY DIFFRACTION38ALL{ BBB|267-280 }
39X-RAY DIFFRACTION39ALL{ BBB|281-294 }
40X-RAY DIFFRACTION40ALL{ BBB|295-301 }
41X-RAY DIFFRACTION41ALL{ CCC|3-12 }
42X-RAY DIFFRACTION42ALL{ CCC|13-27 }
43X-RAY DIFFRACTION43ALL{ CCC|28-37 }
44X-RAY DIFFRACTION44ALL{ CCC|38-54 }
45X-RAY DIFFRACTION45ALL{ CCC|55-79 }
46X-RAY DIFFRACTION46ALL{ CCC|80-96 }
47X-RAY DIFFRACTION47ALL{ CCC|97-111 }
48X-RAY DIFFRACTION48ALL{ CCC|112-118 }
49X-RAY DIFFRACTION49ALL{ CCC|119-136 }
50X-RAY DIFFRACTION50ALL{ CCC|137-147 }
51X-RAY DIFFRACTION51ALL{ CCC|148-168 }
52X-RAY DIFFRACTION52ALL{ CCC|169-181 }
53X-RAY DIFFRACTION53ALL{ CCC|182-195 }
54X-RAY DIFFRACTION54ALL{ CCC|196-200 }
55X-RAY DIFFRACTION55ALL{ CCC|201-213 }
56X-RAY DIFFRACTION56ALL{ CCC|214-225 }
57X-RAY DIFFRACTION57ALL{ CCC|226-258 }
58X-RAY DIFFRACTION58ALL{ CCC|259-280 }
59X-RAY DIFFRACTION59ALL{ CCC|281-294 }
60X-RAY DIFFRACTION60ALL{ CCC|295-300 }
61X-RAY DIFFRACTION61ALL{ DDD|4-14 }
62X-RAY DIFFRACTION62ALL{ DDD|15-27 }
63X-RAY DIFFRACTION63ALL{ DDD|28-34 }
64X-RAY DIFFRACTION64ALL{ DDD|35-45 }
65X-RAY DIFFRACTION65ALL{ DDD|4-14 }
66X-RAY DIFFRACTION66ALL{ DDD|88-97 }
67X-RAY DIFFRACTION67ALL{ DDD|98-111 }
68X-RAY DIFFRACTION68ALL{ DDD|112-126 }
69X-RAY DIFFRACTION69ALL{ DDD|127-136 }
70X-RAY DIFFRACTION70ALL{ DDD|137-147 }
71X-RAY DIFFRACTION71ALL{ DDD|148-160 }
72X-RAY DIFFRACTION72ALL{ DDD|161-170 }
73X-RAY DIFFRACTION73ALL{ DDD|171-194 }
74X-RAY DIFFRACTION74ALL{ DDD|195-200 }
75X-RAY DIFFRACTION75ALL{ DDD|201-217 }
76X-RAY DIFFRACTION76ALL{ DDD|218-229 }
77X-RAY DIFFRACTION77ALL{ DDD|230-258 }
78X-RAY DIFFRACTION78ALL{ DDD|259-280 }
79X-RAY DIFFRACTION79ALL{ DDD|281-294 }
80X-RAY DIFFRACTION80ALL{ DDD|295-300 }

+
万見について

-
お知らせ

-
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

+
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

+
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。

-
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