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- PDB-4c4u: Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus E... -

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基本情報

登録情報
データベース: PDB / ID: 4c4u
タイトルSuperoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus E12Q mutant 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: 2.583 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. / Romao, C.V.
履歴
登録2013年9月9日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02014年8月6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)220,27932
ポリマ-219,38516
非ポリマー89416
4,720262
1
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)55,0708
ポリマ-54,8464
非ポリマー2234
724
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area9820 Å2
ΔGint-79.4 kcal/mol
Surface area18780 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)55,0708
ポリマ-54,8464
非ポリマー2234
724
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area9790 Å2
ΔGint-65.7 kcal/mol
Surface area18720 Å2
手法PISA
3
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)55,0708
ポリマ-54,8464
非ポリマー2234
724
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area9690 Å2
ΔGint-64.7 kcal/mol
Surface area19010 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)55,0708
ポリマ-54,8464
非ポリマー2234
724
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area9660 Å2
ΔGint-65.4 kcal/mol
Surface area18720 Å2
手法PISA
単位格子
Length a, b, c (Å)99.158, 108.317, 188.423
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID
11
21

NCSドメイン領域:
Dom-IDComponent-IDEns-IDSelection details
111CHAIN A AND CHAIN B AND CHAIN C AND CHAIN...
211CHAIN P

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要素

#1: タンパク質
SUPEROXIDE REDUCTASE / SOR


分子量: 13711.564 Da / 分子数: 16 / 変異: YES / 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: PT7-7/NAFE12QA / 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: 262 / 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: 2.26 Å3/Da / 溶媒含有率: 45.58 % / 解説: NONE
結晶化pH: 4.6 / 詳細: 0.1 M SODIUM ACETATE, PH 4.6 AND 12% PEG 300

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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30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: 2.58→47.9 Å / Num. obs: 64229 / % possible obs: 99.7 % / Observed criterion σ(I): 0 / 冗長度: 3.9 % / Biso Wilson estimate: 25.66 Å2 / Rmerge(I) obs: 0.17 / Net I/σ(I): 7.9
反射 シェル解像度: 2.58→2.62 Å / 冗長度: 3.9 % / Rmerge(I) obs: 0.67 / Mean I/σ(I) obs: 2.2 / % possible all: 98.9

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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
XDSPROGRAM PACKAGE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: 2.583→47.947 Å / SU ML: 0.45 / σ(F): 1.99 / 位相誤差: 34.17 / 立体化学のターゲット値: ML
詳細: THE STRUCTURE WAS REFINED WITH TORSION ANGLE NCS RESTRAINTS. SEE HEADD JJ, ECHOLS N, AFONINE PV, GROSSE- KUNSTLEVE RW, CHEN VB, MORIARTY NW, RICHARDSON DC, RICHARDSON JS, ADAMS PD. USE OF ...詳細: THE STRUCTURE WAS REFINED WITH TORSION ANGLE NCS RESTRAINTS. SEE HEADD JJ, ECHOLS N, AFONINE PV, GROSSE- KUNSTLEVE RW, CHEN VB, MORIARTY NW, RICHARDSON DC, RICHARDSON JS, ADAMS PD. USE OF KNOWLEDGE-BASED RESTRAINTS IN PHENIX.REFINE TO IMPROVE 3 MACROMOLECULAR REFINEMENT AT LOW RESOLUTION. ACTA CRYSTALLOGR D BIOL CRYSTALLOGR. 2012 68:381-90.DOI:10.1107/S0907444911047834.
Rfactor反射数%反射
Rfree0.3164 3249 5.1 %
Rwork0.2481 --
obs0.2516 64094 99.52 %
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
精密化ステップサイクル: LAST / 解像度: 2.583→47.947 Å
タンパク質核酸リガンド溶媒全体
原子数15216 0 16 262 15494
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.01415744
X-RAY DIFFRACTIONf_angle_d1.40121472
X-RAY DIFFRACTIONf_dihedral_angle_d12.4655456
X-RAY DIFFRACTIONf_chiral_restr0.0722336
X-RAY DIFFRACTIONf_plane_restr0.0072720
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDタイプ
11AX-RAY DIFFRACTIONPOSITIONAL
12PX-RAY DIFFRACTIONPOSITIONAL
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.5826-2.62110.38441280.33472545X-RAY DIFFRACTION96
2.6211-2.66210.42821370.3222612X-RAY DIFFRACTION100
2.6621-2.70570.37341390.30732633X-RAY DIFFRACTION100
2.7057-2.75240.39381250.31362615X-RAY DIFFRACTION100
2.7524-2.80240.39841420.29342616X-RAY DIFFRACTION100
2.8024-2.85630.34961690.29742599X-RAY DIFFRACTION100
2.8563-2.91460.3521380.30252629X-RAY DIFFRACTION100
2.9146-2.9780.34271190.30322646X-RAY DIFFRACTION100
2.978-3.04720.40191240.28592616X-RAY DIFFRACTION100
3.0472-3.12340.34791520.26832619X-RAY DIFFRACTION99
3.1234-3.20790.34791300.27142652X-RAY DIFFRACTION100
3.2079-3.30220.36291500.26762631X-RAY DIFFRACTION100
3.3022-3.40880.29221440.2542633X-RAY DIFFRACTION100
3.4088-3.53060.33151340.25452625X-RAY DIFFRACTION99
3.5306-3.67190.34821410.25282663X-RAY DIFFRACTION100
3.6719-3.83890.35241560.24172602X-RAY DIFFRACTION100
3.8389-4.04120.31421460.23222657X-RAY DIFFRACTION100
4.0412-4.29430.23891520.19862642X-RAY DIFFRACTION100
4.2943-4.62560.23191430.18822671X-RAY DIFFRACTION100
4.6256-5.09060.24241470.17912679X-RAY DIFFRACTION100
5.0906-5.82620.28951370.20582717X-RAY DIFFRACTION100
5.8262-7.33610.28381400.22472728X-RAY DIFFRACTION100
7.3361-47.95520.25641560.22732815X-RAY DIFFRACTION98
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)
11.406-0.7218-0.32353.21110.37431.37230.0877-0.05820.2188-0.32640.2179-0.3541-0.3093-0.0346-0.13910.48260.1317-0.06180.20620.03720.684511.4683-14.6223-12.9974
21.4947-1.8318-0.63292.44480.96870.46130.143-0.11260.1701-0.08590.1696-0.1237-0.0034-0.0399-0.06480.25570.0030.07980.19160.10890.432225.7964-23.0965-4.0509
30.9424-0.568-0.42441.62871.04681.05270.05-0.22440.1403-0.0729-0.1469-0.0623-0.06510.02720.05170.20250.05340.0159-0.00320.04340.393110.3609-22.621-1.4304
41.17830.16750.53730.4226-0.72652.31910.24430.161-0.0227-0.2161-0.2334-0.0182-0.03460.48980.0940.3474-0.0302-0.11540.07030.08150.174417.8454-24.8244-9.5624
50.3640.04960.38762.7776-0.80931.49130.0876-0.222-0.0120.0995-0.1647-0.1940.00260.13230.04190.5944-0.1724-0.03930.36970.28540.671420.3194-41.759616.3715
62.95510.4370.04652.1524-1.20773.2162-0.03880.10940.64090.12270.04350.0186-0.3518-0.13830.03250.18010.0448-0.11770.5568-0.0330.463322.1862-22.248413.9076
71.5-1.0958-0.68461.56940.62651.33880.0164-0.1533-0.00940.1660.1387-0.39360.17880.2005-0.0550.22270.1333-0.01850.19050.21270.550415.7678-32.20469.5932
80.0411-0.11310.10510.669-0.37250.28480.03870.0322-0.0331-0.21720.0131-0.04180.10830.01180.01560.20070.126-0.03420.10890.26170.550123.6215-40.9326-7.4948
91.3353-0.22950.00980.45890.65161.16220.1715-0.2301-0.00710.1164-0.24470.0647-0.0148-0.0620.04010.4111-0.07050.04690.12810.01380.396614.1265-20.695611.9095
100.045-0.0554-0.10091.090.21360.18770.033-0.1182-0.07520.2630.13050.10190.1233-0.09780.03050.27330.087-0.06890.26880.32230.553315.1309-35.845314.0022
111.44070.14950.19280.09990.17941.4693-0.06790.2422-0.5226-0.43690.1894-0.21760.0964-0.0909-0.09790.4582-0.00810.08950.31780.09520.59379.2655-40.5075-22.1939
120.271-0.05850.51572.90120.28472.94690.0082-0.1663-0.20060.393-0.09760.5332-0.0506-0.62380.07060.3186-0.02650.06410.60370.18860.8557-10.5281-37.9025-11.7638
131.406-1.62620.05272.48960.05590.57690.170.2136-0.2205-0.3026-0.22780.12590.27120.0876-0.00870.21520.13110.04220.17650.15610.68243.1682-36.2421-11.5891
140.0342-0.0724-0.010.5104-0.09750.0457-0.0161-0.0388-0.1972-0.1708-0.01140.01810.1630.0376-0.07560.2656-0.06170.07840.02070.12590.636211.6823-51.5964-2.6
150.2561-0.0081-0.03410.4988-0.08450.2067-0.13930.02180.0203-0.04930.02140.14910.0701-0.09-0.30340.3796-0.03550.05940.15030.21230.3075-0.8842-33.7235-14.0244
160.31690.204-0.14590.9525-0.26660.4885-0.23410.0778-0.0361-0.08430.1620.05220.0898-0.1136-0.02770.427-0.1627-0.02720.14690.23180.8454-6.2865-43.97278.4049
170.5449-0.2584-0.07591.2839-0.02450.6211-0.2198-0.1588-0.30950.1333-0.14620.18840.08930.1998-0.07040.2648-0.167-0.00850.22440.26320.4781-1.4955-38.88587.3495
180.2261-0.0168-0.03390.62590.14490.4609-0.0569-0.1049-0.29560.0561-0.0379-0.11360.02220.0840.04330.23760.03850.01260.08080.21050.6119-1.8187-37.53223.6412
191.24330.3466-1.05291.51860.8641.83390.01250.09020.18560.1349-0.16610.4958-0.4154-0.45020.14160.39080.159-0.04520.4298-0.2640.3629-13.2646-15.026-34.8896
200.23070.09-0.54741.7623-0.80341.5001-0.12330.4041-0.0528-0.33890.14290.1537-0.1572-0.0173-0.01030.12750.0295-0.02970.3777-0.05410.0903-27.4861-23.986-43.6822
211.66661.0691-1.14341.2532-0.76681.41990.0342-0.40160.10270.1171-0.059-0.156-0.0884-0.3571-0.01110.16880.00620.04240.37380.00450.2068-15.4123-25.4153-40.8502
220.2393-0.0799-0.06780.26430.13140.1588-0.022-0.1660.08560.11830.04220.01260.01860.0107-0.05670.05730.18780.13130.2037-0.27760.062-14.7248-23.6656-44.7338
231.06731.15171.28714.2406-1.49815.40050.06240.4432-0.0481-0.34580.21510.07940.0709-0.0713-0.24080.21630.0410.03330.4338-0.06020.2519-22.0755-43.4888-63.5253
243.1563-0.31610.41261.5713-2.2734.5975-0.0738-0.09280.30950.1226-0.05170.3318-0.2982-0.10290.04950.16460.0165-0.05440.3538-0.06930.1638-23.5521-24.9439-61.9473
250.73740.1946-0.94522.3664-0.9641.5354-0.18560.3271-0.31090.0185-0.16940.23510.0919-0.24570.01330.1361-0.0094-0.14240.21950.01290.3729-25.0816-36.6312-54.3091
261.4828-0.33530.10720.47140.08650.0370.12250.20330.2423-0.0881-0.0516-0.2358-0.0263-0.01280.01340.0592-0.05310.09320.3166-0.13910.3155-10.4961-30.6608-59.5379
271.31350.1715-0.38131.9561-0.85461.5866-0.02110.1605-0.4849-0.00020.1255-0.02380.0685-0.313-0.01760.1284-0.03360.02420.2865-0.04290.2125-19.6373-35.6551-53.4378
282.10580.3174-0.55650.07580.16232.3125-0.2863-0.3047-0.77130.26770.11010.3650.4429-0.07370.15780.27330.0310.21390.53040.14460.7462-11.4588-40.4688-24.3489
290.02610.24980.2033.64141.36831.91150.2519-0.1627-0.4356-0.08280.2673-0.7490.05590.562-0.1740.12230.0276-0.03560.63740.11770.53477.161-39.189-34.7792
302.41161.64680.61371.69670.3560.51160.0268-0.6359-0.59020.08990.1099-0.19210.17750.02650.0910.04860.0220.10440.37690.08560.5394-7.7456-41.0048-38.1901
310.74360.0206-0.7241.87730.30611.20660.214-0.3565-0.03220.11460.0215-0.2899-0.05440.01490.05120.21030.02290.05860.28750.27060.2573-1.9935-36.6163-34.3724
324.5557-1.6747-1.86923.05281.12891.9986-0.11440.1225-0.3561-0.0956-0.0464-0.13180.0819-0.03890.02190.29350.22260.1140.3298-0.06330.25974.9799-39.5774-63.2371
331.644-0.06770.26060.88630.07590.2717-0.1549-0.4831-0.34770.20930.1743-0.22470.1516-0.02050.05380.13350.16370.07030.35080.08740.30654.2869-50.4813-48.0926
341.71621.11770.39570.9117-0.03140.52630.06850.0524-0.239-0.02460.089-0.19210.1625-0.0281-0.01180.1364-0.01290.0620.0802-0.07660.09142.8651-36.3456-53.8297
352.03760.90250.12211.35740.24220.8611-0.11550.1022-0.04060.00210.0036-0.09550.1042-0.026-0.04360.07640.02220.07110.35550.0430.5163-10.1731-48.8307-52.7436
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381.193-0.54840.32320.2606-0.02281.83540.09530.187-0.45040.00570.00720.35440.2872-0.3020.14270.34270.12770.08510.5194-0.27630.667236.317-40.9384-60.0368
391.9312-0.5507-0.15480.7997-0.23690.1602-0.0239-0.0951-0.18260.1086-0.0007-0.1610.03240.1907-0.16550.0711-0.0876-0.01220.5165-0.16780.202522.1345-32.2445-51.3513
401.8693-0.95091.63481.3036-0.68221.4517-0.0087-0.1528-0.36360.16160.4387-0.03440.0163-0.1787-0.08610.07510.08530.03380.4389-0.0450.260436.6807-35.7364-51.311
412.0535-0.56650.10061.6396-1.67981.85340.04610.51880.11960.00190.14560.09680.1775-0.2174-0.09270.1596-0.01620.01240.3096-0.04630.083829.1503-21.4618-59.5434
420.6628-0.208-0.39841.08630.57031.4781-0.0971-0.4801-0.41440.14030.19-0.12090.13840.1841-0.02260.15840.1110.1250.24310.10360.348244.2317-36.5644-37.7361
431.4065-0.0695-0.33220.47190.17881.39050.12640.12390.1378-0.01510.08780.1384-0.1515-0.1556-0.02570.03310.08360.06290.3024-0.02250.242521.8236-25.0093-53.304
440.77140.32270.5950.14120.31311.22080.04660.2702-0.2548-0.071-0.02080.06590.12320.3182-0.34710.1458-0.0391-0.05740.3065-0.19890.320433.6273-33.0966-58.6386
451.47810.1892-1.98782.5314-0.31893.55310.1073-0.44360.21830.1571-0.01650.0319-0.11720.0991-0.11180.47560.1044-0.08220.8131-0.34320.467427.5526-12.8698-31.2323
461.99160.3735-1.36892.05070.76514.1277-0.1483-0.179-0.24780.1735-0.09360.02940.4544-0.08790.20560.2796-0.09350.05250.41270.05680.103525.9704-31.2143-33.0921
471.4426-0.8590.21365.7087-2.56072.34180.0414-0.3564-0.02940.214-0.06030.51480.0662-0.13030.01070.2186-0.12550.05930.2843-0.15720.26924.5235-19.7851-40.6563
481.3402-0.21620.22741.12180.27920.4918-0.1332-0.3579-0.26170.4288-0.0345-0.07510.23790.0453-0.08680.2775-0.0676-0.01620.35540.13990.006139.0469-25.9002-35.3967
490.5640.3984-0.34641.4119-0.88311.0229-0.09080.12580.0771-0.1260.05540.06020.058-0.0631-0.01360.2024-0.1349-0.05710.18970.21550.269226.128-13.5672-56.6782
500.61130.1578-0.21080.30310.25910.5907-0.0668-0.21290.0230.090.00740.1390.217-0.2124-0.00430.0962-0.02050.07030.48540.05480.151130.1867-23.7745-41.069
510.99-0.1005-0.23940.8744-0.85431.3951-0.2009-0.7217-0.15860.17360.17360.03120.21860.01080.02830.20430.160.0150.5997-0.04270.23131.6034-18.7303-33.0139
521.01790.01370.23830.75181.2782.21770.02990.54990.6989-0.58830.28080.4808-0.80930.084-0.21620.3205-0.05030.0460.32820.09320.495438.3644-15.0396-70.0702
533.09531.4046-0.57113.42840.53993.82110.0623-0.2019-0.08260.3582-0.1109-0.49750.08770.52670.11120.39170.08110.13910.47730.1920.464758.9215-16.7467-61.0633
540.3907-0.08060.86831.8727-0.40191.9556-0.01710.08810.04060.0540.2103-0.29970.19030.3989-0.09870.1431-0.02860.03370.5103-0.10910.145357.2787-18.2008-58.0376
553.1641-1.0780.22461.66510.98152.2180.03250.37410.7113-0.16410.0183-0.3765-0.2230.076-0.06190.130.0036-0.05980.49980.2460.617139.0258-6.3303-61.43
561.3940.5734-0.06381.6017-0.34460.3588-0.01020.4397-0.1472-0.1789-0.12950.01850.09510.24240.04510.0407-0.0142-0.02120.5014-0.08240.154847.9336-26.882-57.9709
570.0993-0.26690.04980.97610.05880.1497-0.0972-0.11210.2832-0.0525-0.06690.0871-0.1333-0.21720.13250.1479-0.0014-0.05910.1982-0.18690.467136.0099-3.6393-50.4236
580.8032-0.1164-0.68360.57480.18750.7967-0.01890.2270.1004-0.14510.18440.03580.0539-0.05810.0290.143-0.05160.03590.57920.00290.06648.493-21.6124-61.6416
591.1058-0.1251-0.63230.89350.39682.2485-0.015-0.17550.03290.0772-0.052-0.0232-0.00090.3322-0.06940.22340.11480.11360.9723-0.15720.235454.6533-16.8744-31.5676
602.29410.62280.58951.91740.30841.7466-0.31640.17160.4348-0.45690.2714-0.0845-0.2870.1770.02690.2507-0.1139-0.00490.2365-0.17780.477455.0566-6.1733-44.8088
611.1799-1.30230.41122.81860.08540.52460.02690.34330.2838-0.2418-0.1133-0.0471-0.11170.03240.09970.2346-0.0306-0.06820.49630.20130.185952.5621-5.6771-48.2048
620.5867-0.31-0.10090.6160.20170.4939-0.1146-0.13860.25060.1043-0.02380.0576-0.05550.097-0.12530.1980.0057-0.04380.3156-0.18280.261647.9139-15.7298-41.5048
630.54070.1828-0.19070.321-0.18950.93290.0910.0380.0543-0.0701-0.0690.0033-0.07650.1766-0.03260.20260.0794-0.01320.3067-0.05610.124250.8482-20.6237-45.7228
640.6330.29660.22740.67670.45020.8417-0.04290.05470.0934-0.1292-0.13170.1064-0.1368-0.0837-0.10930.10030.1646-0.03470.3697-0.0770.054949.6379-8.7981-36.6535
650.9046-0.8992-0.2061.14940.87331.78610.00170.083-0.2677-0.112-0.13750.26480.3694-0.17020.28160.71490.0060.16820.4606-0.34470.623334.1746-93.2076-13.5683
661.221-1.0590.99390.9525-1.02111.57190.127-0.1003-0.37240.19410.260.46310.0117-0.2542-0.24740.3027-0.07760.07470.1414-0.00550.411119.952-84.9347-4.1585
670.9939-0.43771.1271.0602-0.66671.81890.05910.1164-0.1231-0.2535-0.04780.13340.3196-0.23-0.12480.2697-0.0862-0.04160.5113-0.39760.383432.3864-85.0694-7.2854
680.33290.02960.20970.5675-0.48810.8978-0.15830.0643-0.1180.0159-0.1169-0.0342-0.24260.0194-0.03120.1643-0.0752-0.02790.1775-0.15670.505338.7077-86.22075.0951
691.50180.61340.21871.38280.83563.17130.03230.01310.1357-0.20940.0390.7785-0.3875-0.391-0.10340.32590.0088-0.02630.11-0.00960.630319.8256-77.4284-5.9331
701.086-0.1913-0.11320.3358-0.08040.07870.06610.18470.1491-0.0664-0.09360.143-0.0301-0.2066-0.0020.34320.07560.0620.2084-0.11490.3735.3621-85.6648-9.7822
712.60151.28411.40010.71270.51091.1910.08940.08920.1611-0.0494-0.01-0.17740.07030.0204-0.070.3453-0.0107-0.0040.234-0.10790.36527.013-85.2107-13.5771
721.92020.3208-1.31961.6699-0.271.5110.0809-0.4369-0.2010.1873-0.0565-0.00290.2189-0.0144-0.02810.33350.06120.04020.5734-0.20730.480225.5424-66.894717.114
735.8911.3910.37450.3637-0.28663.9428-0.02570.0099-0.4075-0.55050.03410.56850.5277-0.1981-0.04310.3428-0.13740.04670.2181-0.12660.420923.7142-85.054713.8801
742.1039-0.56930.01144.7583-0.52771.9203-0.0171-0.1248-0.3012-0.1533-0.0124-0.04250.1140.06570.03880.38580.2018-0.08050.24490.06440.438825.7305-84.890510.7911
752.2358-0.0243-1.70532.3776-0.01233.7488-0.131-0.042-0.10120.1137-0.1252-0.01280.0278-0.01840.19910.41470.03010.01970.1592-0.05890.576920.3761-65.63554.9896
762.5969-0.55870.43322.24680.2381.99620.059-0.12790.16310.16450.2769-0.18390.04520.3068-0.21240.2071-0.04270.01840.1772-0.1030.186736.8138-79.721212.1164
770.4062-0.1021-0.17961.4284-0.23490.13320.12760.11110.056-0.3087-0.09630.1265-0.1038-0.19190.07970.26660.07860.03420.3355-0.27260.268922.2187-66.9889-6.9975
780.90570.260.52960.61760.29224.15110.1682-0.22890.00910.1703-0.0482-0.10380.53120.2913-0.35820.3496-0.15020.05950.5567-0.3120.301331.4042-87.975911.5173
790.00880.0953-0.02071.0311-0.33481.31770.03250.05150.03640.32880.0310.09470.0409-0.06320.02840.32010.07550.10170.3636-0.3070.258230.5328-73.070414.2365
800.9579-0.28640.19150.1070.09021.0113-0.07640.24760.2948-0.54420.15790.33-0.3101-0.1941-0.05890.6349-0.2001-0.08710.9802-0.23020.659436.7776-66.7138-21.7805
810.22360.516-0.59163.4201-0.142.2437-0.08620.02730.6080.1244-0.2463-0.4767-0.35410.52450.28370.2778-0.13830.00280.40660.02240.576956.2426-70.0288-11.2326
821.9042-1.06481.1371.4036-0.66550.67970.06070.76060.6056-0.5685-0.0094-0.5084-0.4740.5546-0.06060.4214-0.15110.15330.65470.02950.704237.3062-58.7056-12.5346
832.8811-1.43910.08081.4079-0.04470.01940.0170.1868-0.3184-0.17670.0666-0.11940.03750.10650.00030.2796-0.12890.07360.1235-0.16730.551644.4282-75.7353-10.9014
842.41240.40581.66497.11691.01531.66980.0260.5813-0.1423-0.41720.0415-0.72550.13480.3424-0.11780.4007-0.08290.03030.1593-0.01690.12847.1085-82.8392-9.8822
850.64-0.30090.05730.65240.16680.645-0.01530.30010.0404-0.049-0.05320.2160.14340.1268-0.09550.37390.008-0.00840.2312-0.34280.646542.292-67.943-9.4953
860.2234-0.13810.09550.2592-0.13370.0710.0391-0.17630.21260.2267-0.0011-0.2098-0.22460.33440.0030.5699-0.3567-0.02350.6696-0.30370.528152.4737-71.251816.5365
873.5763-0.87250.28421.02270.89751.1785-0.11250.19340.5438-0.0303-0.1015-0.5615-0.42320.20120.22230.3045-0.07920.10950.2334-0.13630.436151.8416-59.25892.1116
883.5455-1.186-1.30082.8548-2.6644.46-0.1452-0.0845-0.18090.1226-0.1456-0.032-0.09370.22320.20880.45330.1016-0.0620.2475-0.07060.237756.2703-79.73887.2197
890.8087-0.1232-0.21540.56520.35141.1523-0.1364-0.0072-0.06650.0311-0.04080.1016-0.1110.1525-0.12960.2466-0.07030.0120.2949-0.26540.342545.6001-72.82522.6547
900.19120.0762-0.11661.2057-0.14080.60850.0922-0.05130.29130.0950.04910.1246-0.24940.2221-0.18390.2445-0.12540.14840.256-0.17020.474645.5351-65.29326.2621
910.36970.42310.25491.26240.66230.3512-0.0626-0.00050.25170.24540.0356-0.1194-0.23740.13240.04660.3896-0.20440.0120.3197-0.22790.452947.6579-62.045511.8034
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1CHAIN A AND (RESID 2 THROUGH 15 )
2X-RAY DIFFRACTION2CHAIN A AND (RESID 16 THROUGH 34 )
3X-RAY DIFFRACTION3CHAIN A AND (RESID 35 THROUGH 90 )
4X-RAY DIFFRACTION4CHAIN A AND (RESID 91 THROUGH 124 )
5X-RAY DIFFRACTION5CHAIN B AND (RESID 2 THROUGH 16 )
6X-RAY DIFFRACTION6CHAIN B AND (RESID 17 THROUGH 24 )
7X-RAY DIFFRACTION7CHAIN B AND (RESID 25 THROUGH 70 )
8X-RAY DIFFRACTION8CHAIN B AND (RESID 71 THROUGH 90 )
9X-RAY DIFFRACTION9CHAIN B AND (RESID 91 THROUGH 101 )
10X-RAY DIFFRACTION10CHAIN B AND (RESID 102 THROUGH 124 )
11X-RAY DIFFRACTION11CHAIN C AND (RESID 2 THROUGH 16 )
12X-RAY DIFFRACTION12CHAIN C AND (RESID 17 THROUGH 33 )
13X-RAY DIFFRACTION13CHAIN C AND (RESID 34 THROUGH 70 )
14X-RAY DIFFRACTION14CHAIN C AND (RESID 71 THROUGH 90 )
15X-RAY DIFFRACTION15CHAIN C AND (RESID 91 THROUGH 124 )
16X-RAY DIFFRACTION16CHAIN D AND (RESID 2 THROUGH 34 )
17X-RAY DIFFRACTION17CHAIN D AND (RESID 35 THROUGH 63 )
18X-RAY DIFFRACTION18CHAIN D AND (RESID 64 THROUGH 124 )
19X-RAY DIFFRACTION19CHAIN E AND (RESID 2 THROUGH 15 )
20X-RAY DIFFRACTION20CHAIN E AND (RESID 16 THROUGH 34 )
21X-RAY DIFFRACTION21CHAIN E AND (RESID 35 THROUGH 70 )
22X-RAY DIFFRACTION22CHAIN E AND (RESID 71 THROUGH 124 )
23X-RAY DIFFRACTION23CHAIN F AND (RESID 2 THROUGH 15 )
24X-RAY DIFFRACTION24CHAIN F AND (RESID 16 THROUGH 24 )
25X-RAY DIFFRACTION25CHAIN F AND (RESID 25 THROUGH 47 )
26X-RAY DIFFRACTION26CHAIN F AND (RESID 48 THROUGH 70 )
27X-RAY DIFFRACTION27CHAIN F AND (RESID 71 THROUGH 124 )
28X-RAY DIFFRACTION28CHAIN G AND (RESID 2 THROUGH 15 )
29X-RAY DIFFRACTION29CHAIN G AND (RESID 16 THROUGH 34 )
30X-RAY DIFFRACTION30CHAIN G AND (RESID 35 THROUGH 85 )
31X-RAY DIFFRACTION31CHAIN G AND (RESID 86 THROUGH 124 )
32X-RAY DIFFRACTION32CHAIN H AND (RESID 2 THROUGH 15 )
33X-RAY DIFFRACTION33CHAIN H AND (RESID 16 THROUGH 34 )
34X-RAY DIFFRACTION34CHAIN H AND (RESID 35 THROUGH 57 )
35X-RAY DIFFRACTION35CHAIN H AND (RESID 58 THROUGH 70 )
36X-RAY DIFFRACTION36CHAIN H AND (RESID 71 THROUGH 113 )
37X-RAY DIFFRACTION37CHAIN H AND (RESID 114 THROUGH 124 )
38X-RAY DIFFRACTION38CHAIN I AND (RESID 2 THROUGH 15 )
39X-RAY DIFFRACTION39CHAIN I AND (RESID 16 THROUGH 34 )
40X-RAY DIFFRACTION40CHAIN I AND (RESID 35 THROUGH 57 )
41X-RAY DIFFRACTION41CHAIN I AND (RESID 58 THROUGH 70 )
42X-RAY DIFFRACTION42CHAIN I AND (RESID 71 THROUGH 90 )
43X-RAY DIFFRACTION43CHAIN I AND (RESID 91 THROUGH 101 )
44X-RAY DIFFRACTION44CHAIN I AND (RESID 102 THROUGH 124 )
45X-RAY DIFFRACTION45CHAIN J AND (RESID 2 THROUGH 15 )
46X-RAY DIFFRACTION46CHAIN J AND (RESID 16 THROUGH 24 )
47X-RAY DIFFRACTION47CHAIN J AND (RESID 25 THROUGH 47 )
48X-RAY DIFFRACTION48CHAIN J AND (RESID 48 THROUGH 70 )
49X-RAY DIFFRACTION49CHAIN J AND (RESID 71 THROUGH 80 )
50X-RAY DIFFRACTION50CHAIN J AND (RESID 81 THROUGH 110 )
51X-RAY DIFFRACTION51CHAIN J AND (RESID 111 THROUGH 124 )
52X-RAY DIFFRACTION52CHAIN K AND (RESID 2 THROUGH 16 )
53X-RAY DIFFRACTION53CHAIN K AND (RESID 17 THROUGH 24 )
54X-RAY DIFFRACTION54CHAIN K AND (RESID 25 THROUGH 33 )
55X-RAY DIFFRACTION55CHAIN K AND (RESID 34 THROUGH 47 )
56X-RAY DIFFRACTION56CHAIN K AND (RESID 48 THROUGH 70 )
57X-RAY DIFFRACTION57CHAIN K AND (RESID 71 THROUGH 90 )
58X-RAY DIFFRACTION58CHAIN K AND (RESID 91 THROUGH 124 )
59X-RAY DIFFRACTION59CHAIN L AND (RESID 2 THROUGH 15 )
60X-RAY DIFFRACTION60CHAIN L AND (RESID 16 THROUGH 23 )
61X-RAY DIFFRACTION61CHAIN L AND (RESID 24 THROUGH 34 )
62X-RAY DIFFRACTION62CHAIN L AND (RESID 35 THROUGH 70 )
63X-RAY DIFFRACTION63CHAIN L AND (RESID 71 THROUGH 113 )
64X-RAY DIFFRACTION64CHAIN L AND (RESID 114 THROUGH 124 )
65X-RAY DIFFRACTION65CHAIN M AND (RESID 2 THROUGH 15 )
66X-RAY DIFFRACTION66CHAIN M AND (RESID 16 THROUGH 34 )
67X-RAY DIFFRACTION67CHAIN M AND (RESID 35 THROUGH 63 )
68X-RAY DIFFRACTION68CHAIN M AND (RESID 64 THROUGH 90 )
69X-RAY DIFFRACTION69CHAIN M AND (RESID 91 THROUGH 101 )
70X-RAY DIFFRACTION70CHAIN M AND (RESID 102 THROUGH 113 )
71X-RAY DIFFRACTION71CHAIN M AND (RESID 114 THROUGH 124 )
72X-RAY DIFFRACTION72CHAIN N AND (RESID 2 THROUGH 15 )
73X-RAY DIFFRACTION73CHAIN N AND (RESID 16 THROUGH 24 )
74X-RAY DIFFRACTION74CHAIN N AND (RESID 25 THROUGH 34 )
75X-RAY DIFFRACTION75CHAIN N AND (RESID 35 THROUGH 47 )
76X-RAY DIFFRACTION76CHAIN N AND (RESID 48 THROUGH 70 )
77X-RAY DIFFRACTION77CHAIN N AND (RESID 71 THROUGH 90 )
78X-RAY DIFFRACTION78CHAIN N AND (RESID 91 THROUGH 101 )
79X-RAY DIFFRACTION79CHAIN N AND (RESID 102 THROUGH 124 )
80X-RAY DIFFRACTION80CHAIN O AND (RESID 2 THROUGH 16 )
81X-RAY DIFFRACTION81CHAIN O AND (RESID 17 THROUGH 33 )
82X-RAY DIFFRACTION82CHAIN O AND (RESID 34 THROUGH 47 )
83X-RAY DIFFRACTION83CHAIN O AND (RESID 48 THROUGH 57 )
84X-RAY DIFFRACTION84CHAIN O AND (RESID 58 THROUGH 70 )
85X-RAY DIFFRACTION85CHAIN O AND (RESID 71 THROUGH 124 )
86X-RAY DIFFRACTION86CHAIN P AND (RESID 2 THROUGH 15 )
87X-RAY DIFFRACTION87CHAIN P AND (RESID 16 THROUGH 34 )
88X-RAY DIFFRACTION88CHAIN P AND (RESID 35 THROUGH 47 )
89X-RAY DIFFRACTION89CHAIN P AND (RESID 48 THROUGH 90 )
90X-RAY DIFFRACTION90CHAIN P AND (RESID 91 THROUGH 114 )
91X-RAY DIFFRACTION91CHAIN P AND (RESID 115 THROUGH 124 )

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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://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

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