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- PDB-4bff: Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus i... -

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基本情報

登録情報
データベース: PDB / ID: 4bff
タイトルSuperoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus in the reduced form
要素SUPEROXIDE REDUCTASE
キーワードOXIDOREDUCTASE / OXYGEN DETOXIFICATION
機能・相同性
機能・相同性情報


superoxide reductase / superoxide reductase activity / iron ion binding
類似検索 - 分子機能
SOR catalytic domain / Desulfoferrodoxin, ferrous iron-binding domain / Desulfoferrodoxin, ferrous iron-binding domain superfamily / Desulfoferrodoxin / Immunoglobulin-like / Sandwich / Mainly Beta
類似検索 - ドメイン・相同性
: / Putative superoxide reductase
類似検索 - 構成要素
生物種ARCHAEOGLOBUS FULGIDUS (古細菌)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 2 Å
データ登録者Bandeiras, T.M. / Rodrigues, J.V. / Sousa, C.M. / Barradas, A.R. / Pinho, F.G. / Pinto, A.F. / Teixeira, M. / Matias, P.M. / Romao, C.V.
引用
ジャーナル: To be Published
タイトル: Understanding the Role of Key Residues in the Superoxide Reductase Molecular Mechanism, Exploring Archaeoglobus Fulgidus Sor Structure
著者: Bandeiras, T.M. / Rodrigues, J.V. / Sousa, C.M. / Barradas, A.R. / Pinho, F.G. / Pinto, A.F. / Teixeira, M. / Matias, P.M. / Romao, C.V.
#1: ジャーナル: Acta Crystallogr.,Sect.F / : 2010
タイトル: Purification, Crystallization and X-Ray Crystallographic Analysis of Archaeoglobus Fulgidus Neelaredoxin.
著者: Bandeiras, T.M. / Romao, C.V. / Rodrigues, J.V. / Teixeira, M. / Matias, P.M.
履歴
登録2013年3月18日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02014年3月26日Provider: repository / タイプ: Initial release
改定 1.12023年12月20日Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_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.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_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_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_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 / _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: SUPEROXIDE REDUCTASE
B: SUPEROXIDE REDUCTASE
C: SUPEROXIDE REDUCTASE
D: SUPEROXIDE REDUCTASE
E: SUPEROXIDE REDUCTASE
F: SUPEROXIDE REDUCTASE
G: SUPEROXIDE REDUCTASE
H: SUPEROXIDE REDUCTASE
I: SUPEROXIDE REDUCTASE
J: SUPEROXIDE REDUCTASE
K: SUPEROXIDE REDUCTASE
L: SUPEROXIDE REDUCTASE
M: SUPEROXIDE REDUCTASE
N: SUPEROXIDE REDUCTASE
O: SUPEROXIDE REDUCTASE
P: SUPEROXIDE REDUCTASE
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)220,29432
ポリマ-219,40116
非ポリマー89416
26,0501446
1
M: SUPEROXIDE REDUCTASE
N: SUPEROXIDE REDUCTASE
O: SUPEROXIDE REDUCTASE
P: SUPEROXIDE REDUCTASE
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)55,0748
ポリマ-54,8504
非ポリマー2234
724
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area9730 Å2
ΔGint-62.5 kcal/mol
Surface area18590 Å2
手法PISA
2
I: SUPEROXIDE REDUCTASE
J: SUPEROXIDE REDUCTASE
K: SUPEROXIDE REDUCTASE
L: SUPEROXIDE REDUCTASE
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)55,0748
ポリマ-54,8504
非ポリマー2234
724
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area9600 Å2
ΔGint-63.4 kcal/mol
Surface area18660 Å2
手法PISA
3
E: SUPEROXIDE REDUCTASE
F: SUPEROXIDE REDUCTASE
G: SUPEROXIDE REDUCTASE
H: SUPEROXIDE REDUCTASE
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)55,0748
ポリマ-54,8504
非ポリマー2234
724
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area9890 Å2
ΔGint-94 kcal/mol
Surface area18750 Å2
手法PISA
4
A: SUPEROXIDE REDUCTASE
B: SUPEROXIDE REDUCTASE
C: SUPEROXIDE REDUCTASE
D: SUPEROXIDE REDUCTASE
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)55,0748
ポリマ-54,8504
非ポリマー2234
724
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area9610 Å2
ΔGint-63.9 kcal/mol
Surface area18830 Å2
手法PISA
単位格子
Length a, b, c (Å)99.324, 100.230, 109.681
Angle α, β, γ (deg.)90.00, 90.11, 90.00
Int Tables number4
Space group name H-MP1211

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要素

#1: タンパク質
SUPEROXIDE REDUCTASE / SOR


分子量: 13712.549 Da / 分子数: 16 / 由来タイプ: 組換発現 / 由来: (組換発現) ARCHAEOGLOBUS FULGIDUS (古細菌) / プラスミド: PT7AFNLR / 発現宿主: ESCHERICHIA COLI (大腸菌) / 株 (発現宿主): BL21(DE3) / Variant (発現宿主): GOLD / 参照: UniProt: O29903, superoxide reductase
#2: 化合物
ChemComp-FE2 / FE (II) ION


分子量: 55.845 Da / 分子数: 16 / 由来タイプ: 合成 / : Fe
#3: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 1446 / 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: 2.44 Å3/Da / 溶媒含有率: 49.57 % / 解説: NONE
結晶化pH: 4.6
詳細: 0.1M SODIUM ACETATE PH4.6, 0.2M AMMONIUM SULPHATE AND 20% (V/V) PEG 4000

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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: ESRF / ビームライン: ID23-2 / 波長: 0.8726
検出器タイプ: MARMOSAIC 225 mm CCD / 検出器: CCD / 日付: 2012年9月29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: 0.8726 Å / 相対比: 1
反射解像度: 2→48.11 Å / Num. obs: 130629 / % possible obs: 90.4 % / 冗長度: 2.1 % / Biso Wilson estimate: 23.8 Å2 / Rmerge(I) obs: 0.07 / Net I/σ(I): 8.6
反射 シェル解像度: 2→2.1 Å / 冗長度: 2.1 % / Rmerge(I) obs: 0.45 / Mean I/σ(I) obs: 1.9 / % possible all: 93.3

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解析

ソフトウェア
名称バージョン分類
PHENIX(PHENIX.REFINE)精密化
XDSPROGRAM PACKAGEデータ削減
SCALA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: PDB ENTRY 4BGL
解像度: 2→48.11 Å / SU ML: 0.28 / σ(F): 1.37 / 位相誤差: 28.91 / 立体化学のターゲット値: ML
Rfactor反射数%反射
Rfree0.2536 6518 5 %
Rwork0.2057 --
obs0.2082 130488 89.95 %
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: 33.8 Å2
精密化ステップサイクル: LAST / 解像度: 2→48.11 Å
タンパク質核酸リガンド溶媒全体
原子数15236 0 16 1446 16698
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.0115816
X-RAY DIFFRACTIONf_angle_d1.02921423
X-RAY DIFFRACTIONf_dihedral_angle_d14.385503
X-RAY DIFFRACTIONf_chiral_restr0.072349
X-RAY DIFFRACTIONf_plane_restr0.0052738
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2-2.02270.39142030.3134264X-RAY DIFFRACTION93
2.0227-2.04650.36052170.29244274X-RAY DIFFRACTION93
2.0465-2.07150.32822110.27654281X-RAY DIFFRACTION93
2.0715-2.09770.32442190.27484223X-RAY DIFFRACTION93
2.0977-2.12530.31892220.26734267X-RAY DIFFRACTION93
2.1253-2.15440.30621970.264285X-RAY DIFFRACTION93
2.1544-2.18520.32522420.26924173X-RAY DIFFRACTION92
2.1852-2.21780.312140.24974236X-RAY DIFFRACTION92
2.2178-2.25250.28582180.23814217X-RAY DIFFRACTION92
2.2525-2.28940.28962300.2324217X-RAY DIFFRACTION92
2.2894-2.32890.29242170.22354202X-RAY DIFFRACTION92
2.3289-2.37120.26242410.22834160X-RAY DIFFRACTION92
2.3712-2.41680.3042250.22084192X-RAY DIFFRACTION91
2.4168-2.46620.29332260.22844172X-RAY DIFFRACTION91
2.4662-2.51980.29982210.2194208X-RAY DIFFRACTION91
2.5198-2.57840.27652130.22014131X-RAY DIFFRACTION91
2.5784-2.64290.2942140.21074187X-RAY DIFFRACTION91
2.6429-2.71430.27332230.20764126X-RAY DIFFRACTION90
2.7143-2.79420.26981990.21314163X-RAY DIFFRACTION90
2.7942-2.88440.25362130.20154107X-RAY DIFFRACTION89
2.8844-2.98740.25772080.20274094X-RAY DIFFRACTION89
2.9874-3.1070.25122320.19324051X-RAY DIFFRACTION89
3.107-3.24840.24742050.19294067X-RAY DIFFRACTION88
3.2484-3.41960.25352230.18874015X-RAY DIFFRACTION87
3.4196-3.63380.22652130.17914012X-RAY DIFFRACTION87
3.6338-3.91430.20312210.17713955X-RAY DIFFRACTION86
3.9143-4.3080.18922270.15953930X-RAY DIFFRACTION86
4.308-4.93080.16722000.15683938X-RAY DIFFRACTION85
4.9308-6.21020.22822120.183926X-RAY DIFFRACTION84
6.2102-48.12380.25242120.2183897X-RAY DIFFRACTION83
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)
15.66440.4339-0.94183.2915-0.57073.61860.109-0.09710.71150.36110.2712-0.1222-0.54620.00180.07980.209-0.0889-0.03090.3888-0.07630.261837.57359.088749.6216
22.0084-0.45771.27042.1029-0.82582.07220.03440.04640.20220.0243-0.1667-0.1079-0.32950.60980.07330.1597-0.0430.00310.3681-0.02980.209137.40772.363238.8104
34.5435-2.43971.11625.2526-0.80321.9714-0.07570.28270.3505-0.1432-0.01630.2231-0.14290.10550.00750.1338-0.04830.02340.32720.00940.311923.42146.182334.2894
41.7845-0.94671.16783.3464-2.04292.55760.00690.19790.08290.0732-0.2411-0.4792-0.06530.34740.00410.1503-0.02730.01460.41690.01190.225737.2918-7.091339.7505
52.071-0.46330.97322.9261-2.18554.4588-0.11170.09310.1510.23840.1671-0.044-0.3003-0.25980.07040.1529-0.0372-0.00340.2257-0.05380.193932.43846.744143.0502
63.3320.69010.76771.20990.49081.6192-0.12680.3246-0.6277-0.13990.1991-0.0152-0.0619-0.0084-0.00610.25750.00140.04850.469-0.02890.333136.4375-14.824525.7515
71.9037-0.43110.7141.1524-0.51831.5019-0.15580.5319-0.95760.02710.03030.1358-0.07840.0295-0.02940.1626-0.052-0.00280.425-0.06920.263631.1641-13.756131.2959
83.2839-0.97810.13671.21830.13050.45990.16960.315-0.2402-0.0195-0.0750.1978-0.04040.1452-0.02760.1822-0.026-0.01380.47060.02450.190329.3206-3.113129.8635
95.2579-0.79731.03370.9895-0.04740.8615-0.04710.3941-0.84990.1092-0.01720.01880.14410.0181-0.02860.1877-0.0008-0.01690.3739-0.05910.300631.7294-18.204228.9205
105.27320.3593-1.05023.37150.02083.88480.0638-0.36180.15610.20580.10880.489-0.5314-0.7128-0.00290.2598-0.0180.01170.36120.02180.331810.52228.580545.2406
111.4803-0.38170.68631.1130.01633.14320.00030.0755-0.13480.1090.0990.2906-0.06-0.452-0.05340.1648-0.04670.0230.3889-0.01390.262912.085-3.193847.976
122.59010.49661.1222.44541.42083.69870.019-0.31810.34260.31-0.11820.17260.14140.0708-0.05930.1802-0.04460.01230.3796-0.02730.18325.605-2.06654.7204
131.409-0.3673-0.20371.34920.59534.511-0.15720.34660.0685-0.25410.1568-0.16930.0381-0.5035-0.00140.2298-0.0713-0.0230.4765-0.1290.292312.3219-10.003427.9821
140.93270.08220.34760.6990.50293.72190.0989-0.0964-0.16850.05430.02620.1339-0.002-0.52930.00240.1749-0.0027-0.01850.2980.00080.226913.4647-8.896745.4917
150.9534-0.11320.32561.1447-1.07364.6556-0.0413-0.07990.05980.1261-0.13680.00740.01250.1286-0.0060.1783-0.05740.01310.3478-0.01630.254616.25943.383648.4456
164.45350.3098-0.90983.55460.45223.3707-0.1355-0.2375-0.82230.0228-0.21110.56890.5491-0.53980.02960.29420.0011-0.01760.34530.05530.588224.1064-30.248945.7597
172.0761-0.12641.37161.16150.33361.56240.0682-0.4167-0.31290.15930.01580.22280.1144-0.4112-0.01610.1813-0.03790.02980.29450.0390.279617.0313-20.154646.7094
182.05140.58381.30912.24341.50055.4515-0.248-0.1492-0.8852-0.1863-0.17390.46580.1536-0.264-0.13390.1547-0.0082-0.0010.3585-0.09820.440416.0167-17.096632.0454
191.68010.27650.32811.41570.81761.07950.0849-0.0805-0.23210.1257-0.04440.16060.1505-0.2415-0.03770.1601-0.04340.00640.28890.04120.19322.1739-15.479448.4595
208.74290.41231.48161.7270.91121.68310.35560.1578-0.7622-0.10820.12780.01840.0423-0.1534-0.03690.2341-0.11010.06120.34380.03950.415516.6765-25.912939.5808
212.57520.3049-0.06312.0159-0.3362.16150.0360.0518-0.4491-0.06410.0161-0.18420.22860.1488-0.02050.16530.044-0.03360.3932-0.01140.259-12.1835-17.827425.8014
224.8261.9583-0.75234.6334-0.54392.3711-0.0753-0.4574-0.5020.52010.03390.24950.1853-0.0835-0.01860.1707-0.00260.03250.32950.06950.441-26.2384-19.786533.3196
232.4831-0.01070.27562.1701-0.27620.96640.03560.1375-0.1728-0.0882-0.2018-0.31110.05920.1043-0.01150.1310.02440.02040.37120.00910.2282-13.7726-9.551925.6812
242.1247-0.29521.00283.3069-2.49257.12990.17580.1559-0.66690.22240.49910.00760.48190.0644-0.12410.15850.071-0.07540.3587-0.03540.3236-16.7336-23.930627.84
253.9361-0.4355-0.40651.33690.30732.224-0.328-0.87320.31580.29440.07670.05760.1303-0.11360.06490.2336-0.030.0090.4893-0.08250.3601-13.76942.297643.1294
262.3940.0865-0.49811.0557-0.26722.12680.1689-0.8545-0.43120.1798-0.1938-0.1086-0.326-0.20860.04020.27120.0174-0.00490.5184-0.01360.2261-19.1897-5.503844.1461
276.48183.0263-2.16442.8211-1.67072.0656-0.1195-0.01070.17930.0006-0.0392-0.1948-0.0943-0.05210.04280.1529-0.0222-0.01370.3032-0.07050.2957-16.54172.032833.1646
283.68711.493-0.84754.9621-1.68462.6573-0.16770.06780.4664-0.02580.1055-0.1992-0.1457-0.0084-0.00780.1837-0.00140.00090.2945-0.04930.4108-13.50495.479327.0486
294.4771.4343-0.04362.5653-0.28460.96770.125-0.54-0.28720.0963-0.133-0.19910.1124-0.09820.01640.17720.01070.02140.34590.0290.1971-20.255-10.546437.7298
306.10970.8623-1.49841.0512-0.37751.77780.3007-0.23430.52840.0872-0.1189-0.07540.0090.24380.01910.221-0.02360.10130.3321-0.05810.3498-21.81092.889738.8408
318.49020.8971-0.70151.8878-0.18451.30830.1485-0.45710.99310.0209-0.165-0.27260.0057-0.05670.00790.23350.00120.0480.3958-0.05010.456-13.38846.549338.7139
324.8072-0.63390.79852.89190.00323.09440.35460.7129-0.0841-0.2869-0.09820.65560.4595-0.6440.01890.2582-0.0754-0.03340.5438-0.03140.4025-39.2062-22.147722.41
332.6940.777-1.25663.1829-2.22245.7717-0.04380.45530.3863-0.3997-0.10660.2982-0.3276-0.6501-0.05120.26040.0728-0.03670.6396-0.08810.3409-38.4314-7.101711.5866
342.4691-0.0474-0.38041.3090.34842.30590.07710.32810.0023-0.1069-0.00510.16420.1118-0.04550.04830.15370.0206-0.01030.4458-0.02830.2589-32.5025-12.370421.2809
352.2168-0.0964-0.1361.18280.7524.640.13120.02380.404-0.01430.12110.0967-0.026-0.17670.12320.1582-0.0014-0.03930.4318-0.01290.2585-36.4911-4.49727.3926
361.5048-0.14450.57631.7011-0.95295.12620.3020.2937-0.2431-0.1842-0.07940.43720.1134-0.044-0.05590.2342-0.0176-0.02380.49860.00370.2566-33.4426-16.935719.2261
374.595-0.22741.27822.7886-0.40935.3016-0.14480.2771.0329-0.12010.02530.3133-1.0043-0.03270.12370.2331-0.0111-0.02530.40950.12330.6046-25.396816.486122.0386
382.6763-0.0347-0.93130.6791-0.00862.4170.08340.53550.7972-0.15310.06990.1563-0.0927-0.45870.04410.21610.003-0.01520.3610.07970.428-32.73326.459320.9725
391.8409-0.4639-1.56681.99071.48376.6073-0.0349-0.2330.71920.10480.11960.3692-0.079-0.12310.03760.1456-0.01190.07120.2857-0.19450.4435-33.65213.424135.8907
402.24270.3653-0.30391.22150.35621.98490.09510.64030.65270.0184-0.0391-0.0009-0.0218-0.3170.04740.16340.00090.00240.36470.05480.2983-27.55121.756119.151
419.4135-0.4656-1.65821.34660.36872.80230.0027-0.29211.0030.0912-0.10510.1878-0.341-0.05080.02410.27930.0583-0.01060.32690.06140.5723-33.008312.256828.1315
422.2471-0.10740.6662.3467-0.80611.54280.08680.0730.35750.0183-0.1005-0.1983-0.1640.2650.00960.1688-0.03880.02790.23560.02120.253356.1145-44.388228.9623
434.4646-2.07460.84624.6961-0.61241.77510.03350.08180.2984-0.29720.20840.4254-0.2309-0.4-0.10420.23340.0373-0.03950.24190.06340.223942.2308-42.460121.4508
442.2473-0.2729-0.10262.0918-0.60961.08490.0837-0.16570.183-0.1145-0.0106-0.0151-0.00980.0614-0.03590.1348-0.0513-0.00690.19060.02460.163453.9664-49.657228.6401
453.41190.47221.08960.610.36161.82790.06841.1052-0.3518-0.1166-0.05-0.20790.05110.34740.07310.1434-0.0143-0.04060.3651-0.10390.25855.2316-63.430412.6362
462.9134-0.37970.59131.328-0.86651.7358-0.04030.3708-0.2952-0.0721-0.0240.07470.01850.09180.07460.1399-0.0011-0.00280.2828-0.04220.227249.8903-62.264518.3602
473.1398-0.35810.0881.4511-0.07280.4079-0.07260.4553-0.0825-0.1373-0.00310.0126-0.01870.06710.08450.1695-0.0113-0.00930.2837-0.01550.175747.6814-55.665216.6266
488.9246-0.43431.57021.0751-0.05710.86440.05260.2964-1.0584-0.0838-0.0286-0.06080.05970.3083-0.01540.2522-0.07460.05980.3397-0.0510.444954.9992-68.648916.0171
492.3647-0.19350.94512.2896-0.86422.70280.1468-0.67330.2840.193-0.07070.6765-0.171-0.2824-0.06150.2014-0.03610.07540.5008-0.06750.299429.4402-48.356538.2943
502.48930.09720.88551.05450.41421.80670.0865-0.45960.23290.1257-0.15230.17460.2201-0.36350.03820.1601-0.04980.04570.3672-0.03340.240835.8301-49.868933.475
512.24130.25470.32740.89710.73711.51690.1305-0.02920.07150.0186-0.09210.22020.0419-0.1825-0.00430.1265-0.01180.01850.22610.0310.253532.8989-53.960528.4299
522.55510.7499-0.7391.7592-1.37237.8023-0.0192-0.35970.27840.2486-0.0176-0.1099-0.23160.35910.14580.19160.00490.04140.4237-0.06550.375933.9955-45.304941.1066
535.00770.7145-0.98023.858-0.4493.6708-0.2313-0.0443-0.84810.05520.034-0.06350.3173-0.34550.01940.2261-0.0234-0.08760.09860.16640.531842.9354-78.717132.7475
548.9067-1.88421.96592.1775-1.01072.2288-0.1027-0.4597-0.19060.07280.17340.4627-0.15-0.5449-0.06040.23-0.05710.05520.35890.10790.498228.0564-70.727932.6995
559.8156-2.78173.92832.3253-0.95883.4268-0.1578-0.043-0.33460.1379-0.08980.35860.0105-0.5062-0.00930.1889-0.0818-0.0150.35020.06660.337226.5582-66.861831.1612
562.2056-0.31631.13590.93930.26842.64130.1258-0.054-0.53950.12040.02830.01990.16670.00960.03310.1567-0.0331-0.0190.23070.07540.330841.9701-68.861335.1753
573.02220.31781.44152.50641.08254.84210.01350.4222-0.1882-0.2116-0.03550.1263-0.0179-0.2955-0.05020.1667-0.053-0.03380.3409-0.01280.257734.7972-65.638318.9081
582.93620.1415-0.03552.213-0.37071.43180.1476-0.73950.00680.2353-0.1464-0.1152-0.2788-0.36040.01490.2719-0.0484-0.02950.2991-0.04160.196549.8759-57.591146.4431
593.24780.95291.99771.53780.84573.6774-0.077-0.161-0.5945-0.0170.2630.1535-0.2682-0.4795-0.02740.158-0.04270.06480.19740.01470.257931.9683-63.843931.6783
605.47950.2822.06021.6040.09672.52860.0560.4063-0.8229-0.02920.09940.17360.0980.1566-0.04930.1701-0.0235-0.02070.16190.0260.338339.6095-72.566328.1414
616.50020.13381.13372.46760.31552.9729-0.2177-0.6912-0.93080.2290.1701-0.01520.1136-0.1449-0.01390.2943-0.03960.02420.550.09190.3078-6.4265-21.3678-5.5306
624.1421-0.3021-1.89712.40171.09497.42520.1060.3352-0.235-0.292-0.18260.0338-0.0728-0.80230.02850.2389-0.005-0.05920.3836-0.03560.287-7.2857-17.9684-24.0883
632.6984-0.6088-0.9551.6770.91171.35110.0715-0.37320.04750.1324-0.02860.02930.149-0.4152-0.02780.1885-0.05190.01630.44650.01410.2197-5.8232-12.2403-9.9553
644.8636-2.2438-1.174.71951.13082.27070.1364-0.1721-0.2536-0.0531-0.2053-0.07320.1230.0824-0.05060.1644-0.03490.00470.196-0.01850.18997.4723-18.3494-20.5102
652.1285-0.0508-0.2041.16630.63621.25780.0668-0.24890.1122-0.007-0.07980.1633-0.0094-0.2514-0.02160.1555-0.02950.00630.3903-0.03960.1823-4.911-8.2397-12.8672
662.9269-0.15380.34432.88922.65785.03970.0586-0.2462-0.54130.30190.0855-0.18950.57110.0094-0.0340.1535-0.07280.02230.34280.06270.2882-1.9404-22.5723-15.1235
676.03380.7881.36313.17130.24573.6419-0.14350.69490.8522-0.3932-0.34140.681-0.2864-0.40160.17670.25460.0055-0.06680.46590.05690.3811.94647.5331-33.5749
683.5466-0.9247-1.1670.68530.14141.0530.09510.34360.4502-0.20150.02480.10890.0457-0.50550.14460.2028-0.00070.02060.30920.03120.2694-4.324-3.0688-29.2633
694.9107-3.2854-2.47982.42081.62671.45510.1487-0.42750.61990.11130.05950.04560.1689-0.07130.06170.14740.00690.0060.2323-0.11830.2773-1.93743.3246-20.1263
702.6544-0.6316-0.38313.22471.10051.82460.0162-0.58040.5735-0.0212-0.07910.4068-0.19960.16470.02450.1573-0.04870.0030.3131-0.17310.2898-5.11176.8473-14.1922
713.1976-0.6323-0.0391.22430.1870.20310.01460.19860.0638-0.0201-0.10810.0685-0.0078-0.23360.11470.1628-0.01140.0020.25160.01930.15571.9704-5.0799-25.1952
729.608-1.1613-1.20031.44410.26550.34530.16380.06771.1374-0.0175-0.15350.14940.0322-0.29630.00940.206-0.0227-0.02080.3722-0.0330.4041-5.28437.9422-25.6941
731.1683-0.2405-0.54852.40281.0963.03630.1212-0.7719-0.20920.1147-0.1529-0.28310.02350.1222-0.11370.1981-0.0507-0.09930.62720.06860.230819.9695-12.9215-3.8382
741.5866-0.0991-0.76611.08350.09862.42560.1995-0.28920.00770.0865-0.10190.0116-0.029-0.0089-0.00060.1605-0.0295-0.0440.41110.01720.157913.7386-11.001-8.3844
751.2846-0.0937-0.70161.1813-0.08083.9810.0725-0.25820.00510.0016-0.1037-0.05250.18620.3031-0.05490.1493-0.02490.04770.3022-0.01850.273917.7902-3.0256-14.4918
761.4773-0.1893-0.39341.21740.79136.3510.022-0.8365-0.32330.16890.1380.04660.1561-0.28150.01690.1668-0.0190.01430.45980.08790.257114.6783-15.6742-6.4712
773.45380.67050.95273.31210.1123.6298-0.4429-0.59110.8146-0.0674-0.0207-0.3695-0.41730.39160.09260.3667-0.0232-0.0080.4699-0.27180.63536.768217.875-8.9087
781.82540.0386-0.96210.9621-0.37841.73050.3268-1.12560.78470.09-0.2114-0.1215-0.25760.45480.06390.2268-0.08880.00880.5763-0.21070.389514.57748.4062-5.2507
795.35831.4799-3.94471.0934-1.75144.5238-0.1321-0.29060.2628-0.02850.0741-0.25890.1965-0.01770.16550.2096-0.0133-0.01770.3031-0.07010.343712.05546.1894-15.9002
802.8631-0.0381-0.60242.3776-1.50195.1266-0.4028-0.18040.6073-0.2219-0.0955-0.34980.03660.296-0.2520.13620.01670.03430.3833-0.04390.222214.74764.838-22.6639
81-0.00280.0104-0.09780.09580.21770.39620.2845-0.39860.14010.1234-0.2250.35310.2256-0.0414-0.23620.1069-0.01960.43820.7627-0.4161-0.77541.836-2.02573.7168
823.96380.8252-1.5633.7702-1.33444.95220.0951-0.02420.0179-0.2324-0.0449-0.52210.26580.03880.27550.14240.0386-0.00820.4558-0.06460.417722.98423.939-16.268
836.20780.9276-2.27791.1462-0.47991.9140.0541-0.04721.13420.14290.14790.0263-0.20150.01810.01340.1983-0.04010.00670.3624-0.11930.402110.050611.7689-13.5811
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1CHAIN A AND (RESSEQ 2:15)
2X-RAY DIFFRACTION2CHAIN A AND (RESSEQ 16:57)
3X-RAY DIFFRACTION3CHAIN A AND (RESSEQ 58:70)
4X-RAY DIFFRACTION4CHAIN A AND (RESSEQ 71:101)
5X-RAY DIFFRACTION5CHAIN A AND (RESSEQ 102:124)
6X-RAY DIFFRACTION6CHAIN B AND (RESSEQ 2:34)
7X-RAY DIFFRACTION7CHAIN B AND (RESSEQ 35:70)
8X-RAY DIFFRACTION8CHAIN B AND (RESSEQ 71:101)
9X-RAY DIFFRACTION9CHAIN B AND (RESSEQ 102:124)
10X-RAY DIFFRACTION10CHAIN C AND (RESSEQ 2:15)
11X-RAY DIFFRACTION11CHAIN C AND (RESSEQ 16:57)
12X-RAY DIFFRACTION12CHAIN C AND (RESSEQ 58:70)
13X-RAY DIFFRACTION13CHAIN C AND (RESSEQ 71:80)
14X-RAY DIFFRACTION14CHAIN C AND (RESSEQ 81:101)
15X-RAY DIFFRACTION15CHAIN C AND (RESSEQ 102:124)
16X-RAY DIFFRACTION16CHAIN D AND (RESSEQ 2:15)
17X-RAY DIFFRACTION17CHAIN D AND (RESSEQ 16:57)
18X-RAY DIFFRACTION18CHAIN D AND (RESSEQ 58:70)
19X-RAY DIFFRACTION19CHAIN D AND (RESSEQ 71:113)
20X-RAY DIFFRACTION20CHAIN D AND (RESSEQ 114:124)
21X-RAY DIFFRACTION21CHAIN E AND (RESSEQ 2:57)
22X-RAY DIFFRACTION22CHAIN E AND (RESSEQ 58:70)
23X-RAY DIFFRACTION23CHAIN E AND (RESSEQ 71:113)
24X-RAY DIFFRACTION24CHAIN E AND (RESSEQ 114:124)
25X-RAY DIFFRACTION25CHAIN F AND (RESSEQ 2:26)
26X-RAY DIFFRACTION26CHAIN F AND (RESSEQ 27:47)
27X-RAY DIFFRACTION27CHAIN F AND (RESSEQ 48:57)
28X-RAY DIFFRACTION28CHAIN F AND (RESSEQ 58:70)
29X-RAY DIFFRACTION29CHAIN F AND (RESSEQ 71:101)
30X-RAY DIFFRACTION30CHAIN F AND (RESSEQ 102:113)
31X-RAY DIFFRACTION31CHAIN F AND (RESSEQ 114:124)
32X-RAY DIFFRACTION32CHAIN G AND (RESSEQ 2:15)
33X-RAY DIFFRACTION33CHAIN G AND (RESSEQ 16:34)
34X-RAY DIFFRACTION34CHAIN G AND (RESSEQ 35:70)
35X-RAY DIFFRACTION35CHAIN G AND (RESSEQ 71:101)
36X-RAY DIFFRACTION36CHAIN G AND (RESSEQ 102:124)
37X-RAY DIFFRACTION37CHAIN H AND (RESSEQ 2:15)
38X-RAY DIFFRACTION38CHAIN H AND (RESSEQ 16:57)
39X-RAY DIFFRACTION39CHAIN H AND (RESSEQ 58:70)
40X-RAY DIFFRACTION40CHAIN H AND (RESSEQ 71:113)
41X-RAY DIFFRACTION41CHAIN H AND (RESSEQ 114:124)
42X-RAY DIFFRACTION42CHAIN I AND (RESSEQ 2:57)
43X-RAY DIFFRACTION43CHAIN I AND (RESSEQ 58:70)
44X-RAY DIFFRACTION44CHAIN I AND (RESSEQ 71:124)
45X-RAY DIFFRACTION45CHAIN J AND (RESSEQ 2:34)
46X-RAY DIFFRACTION46CHAIN J AND (RESSEQ 35:70)
47X-RAY DIFFRACTION47CHAIN J AND (RESSEQ 71:113)
48X-RAY DIFFRACTION48CHAIN J AND (RESSEQ 114:124)
49X-RAY DIFFRACTION49CHAIN K AND (RESSEQ 2:34)
50X-RAY DIFFRACTION50CHAIN K AND (RESSEQ 35:70)
51X-RAY DIFFRACTION51CHAIN K AND (RESSEQ 71:114)
52X-RAY DIFFRACTION52CHAIN K AND (RESSEQ 115:124)
53X-RAY DIFFRACTION53CHAIN L AND (RESSEQ 2:15)
54X-RAY DIFFRACTION54CHAIN L AND (RESSEQ 16:23)
55X-RAY DIFFRACTION55CHAIN L AND (RESSEQ 24:34)
56X-RAY DIFFRACTION56CHAIN L AND (RESSEQ 35:57)
57X-RAY DIFFRACTION57CHAIN L AND (RESSEQ 58:70)
58X-RAY DIFFRACTION58CHAIN L AND (RESSEQ 71:85)
59X-RAY DIFFRACTION59CHAIN L AND (RESSEQ 86:101)
60X-RAY DIFFRACTION60CHAIN L AND (RESSEQ 102:124)
61X-RAY DIFFRACTION61CHAIN M AND (RESSEQ 2:15)
62X-RAY DIFFRACTION62CHAIN M AND (RESSEQ 16:34)
63X-RAY DIFFRACTION63CHAIN M AND (RESSEQ 35:57)
64X-RAY DIFFRACTION64CHAIN M AND (RESSEQ 58:70)
65X-RAY DIFFRACTION65CHAIN M AND (RESSEQ 71:113)
66X-RAY DIFFRACTION66CHAIN M AND (RESSEQ 114:124)
67X-RAY DIFFRACTION67CHAIN N AND (RESSEQ 2:15)
68X-RAY DIFFRACTION68CHAIN N AND (RESSEQ 16:47)
69X-RAY DIFFRACTION69CHAIN N AND (RESSEQ 48:57)
70X-RAY DIFFRACTION70CHAIN N AND (RESSEQ 58:70)
71X-RAY DIFFRACTION71CHAIN N AND (RESSEQ 71:113)
72X-RAY DIFFRACTION72CHAIN N AND (RESSEQ 114:124)
73X-RAY DIFFRACTION73CHAIN O AND (RESSEQ 2:34)
74X-RAY DIFFRACTION74CHAIN O AND (RESSEQ 35:70)
75X-RAY DIFFRACTION75CHAIN O AND (RESSEQ 71:101)
76X-RAY DIFFRACTION76CHAIN O AND (RESSEQ 102:124)
77X-RAY DIFFRACTION77CHAIN P AND (RESSEQ 2:15)
78X-RAY DIFFRACTION78CHAIN P AND (RESSEQ 16:47)
79X-RAY DIFFRACTION79CHAIN P AND (RESSEQ 48:57)
80X-RAY DIFFRACTION80CHAIN P AND (RESSEQ 58:70)
81X-RAY DIFFRACTION81CHAIN P AND (RESSEQ 71:90)
82X-RAY DIFFRACTION82CHAIN P AND (RESSEQ 91:101)
83X-RAY DIFFRACTION83CHAIN P AND (RESSEQ 102:124)

+
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://pdbjlvh1.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