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- PDB-8q5w: MgADP-bound Fe protein of the molybdenum nitrogenase from Methano... -

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基本情報

登録情報
データベース: PDB / ID: 8q5w
タイトルMgADP-bound Fe protein of the molybdenum nitrogenase from Methanocaldococcus infernus
要素Nitrogenase iron protein
キーワードELECTRON TRANSPORT / nitrogenase / electron donor / ATPase / [4Fe-4S]-cluster / electron transfer / conformational changes / methanogenic archaea / hyperthermophile / oxidoreductase / O2-sensitivity / N2-fixation
機能・相同性
機能・相同性情報


: / nitrogenase / nitrogenase activity / nitrogen fixation / 4 iron, 4 sulfur cluster binding / ATP binding / metal ion binding
類似検索 - 分子機能
Nitrogenase iron protein NifH / NifH/frxC family / NifH/chlL conserved site / 4Fe-4S iron sulfur cluster binding proteins, NifH/frxC family / NifH/frxC family signature 2. / NifH/frxC family signature 1. / NIFH_FRXC family profile. / P-loop containing nucleoside triphosphate hydrolase
類似検索 - ドメイン・相同性
ADENOSINE-5'-DIPHOSPHATE / NITRATE ION / IRON/SULFUR CLUSTER / Nitrogenase iron protein
類似検索 - 構成要素
生物種Methanocaldococcus infernus ME (メタン生成菌)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 2.49 Å
データ登録者Maslac, N. / Wagner, T.
資金援助 ドイツ, スイス, 2件
組織認可番号
Max Planck Society ドイツ
Swiss National Science FoundationNCCR Catalysis 180544 スイス
引用ジャーナル: Febs J. / : 2024
タイトル: Structural comparison of (hyper-)thermophilic nitrogenase reductases from three marine Methanococcales.
著者: Maslac, N. / Cadoux, C. / Bolte, P. / Murken, F. / Gu, W. / Milton, R.D. / Wagner, T.
履歴
登録2023年8月9日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02024年5月15日Provider: repository / タイプ: Initial release
改定 1.12024年8月14日Group: Database references / カテゴリ: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID

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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: Nitrogenase iron protein
B: Nitrogenase iron protein
C: Nitrogenase iron protein
D: Nitrogenase iron protein
E: Nitrogenase iron protein
F: Nitrogenase iron protein
G: Nitrogenase iron protein
H: Nitrogenase iron protein
I: Nitrogenase iron protein
J: Nitrogenase iron protein
K: Nitrogenase iron protein
L: Nitrogenase iron protein
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)382,63464
ポリマ-373,78812
非ポリマー8,84652
73941
1
A: Nitrogenase iron protein
B: Nitrogenase iron protein
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)63,80111
ポリマ-62,2982
非ポリマー1,5039
362
タイプ名称対称操作
identity operation1_555x,y,z1
2
C: Nitrogenase iron protein
D: Nitrogenase iron protein
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)63,5537
ポリマ-62,2982
非ポリマー1,2555
362
タイプ名称対称操作
identity operation1_555x,y,z1
3
E: Nitrogenase iron protein
F: Nitrogenase iron protein
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)63,71210
ポリマ-62,2982
非ポリマー1,4148
362
タイプ名称対称操作
identity operation1_555x,y,z1
4
G: Nitrogenase iron protein
H: Nitrogenase iron protein
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)63,83612
ポリマ-62,2982
非ポリマー1,53810
362
タイプ名称対称操作
identity operation1_555x,y,z1
5
I: Nitrogenase iron protein
J: Nitrogenase iron protein
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)63,92813
ポリマ-62,2982
非ポリマー1,63011
362
タイプ名称対称操作
identity operation1_555x,y,z1
6
K: Nitrogenase iron protein
L: Nitrogenase iron protein
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)63,80411
ポリマ-62,2982
非ポリマー1,5069
362
タイプ名称対称操作
identity operation1_555x,y,z1
単位格子
Length a, b, c (Å)147.948, 156.729, 206.454
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

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タンパク質 , 1種, 12分子 ABCDEFGHIJKL

#1: タンパク質
Nitrogenase iron protein


分子量: 31148.984 Da / 分子数: 12 / 由来タイプ: 天然
由来: (天然) Methanocaldococcus infernus ME (メタン生成菌)
細胞株: / / 器官: / / Plasmid details: / / Variant: / / : ME / 組織: / / 参照: UniProt: D5VUA1

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非ポリマー , 8種, 93分子

#2: 化合物
ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE / ADP


分子量: 427.201 Da / 分子数: 12 / 由来タイプ: 合成 / : C10H15N5O10P2 / タイプ: SUBJECT OF INVESTIGATION / コメント: ADP, エネルギー貯蔵分子*YM
#3: 化合物
ChemComp-MG / MAGNESIUM ION / マグネシウムジカチオン


分子量: 24.305 Da / 分子数: 12 / 由来タイプ: 合成 / : Mg / タイプ: SUBJECT OF INVESTIGATION
#4: 化合物
ChemComp-NO3 / NITRATE ION


分子量: 62.005 Da / 分子数: 10 / 由来タイプ: 合成 / : NO3
#5: 化合物
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / エチレングリコ-ル


分子量: 62.068 Da / 分子数: 6 / 由来タイプ: 合成 / : C2H6O2
#6: 化合物
ChemComp-SF4 / IRON/SULFUR CLUSTER


分子量: 351.640 Da / 分子数: 6 / 由来タイプ: 合成 / : Fe4S4 / タイプ: SUBJECT OF INVESTIGATION
#7: 化合物
ChemComp-CL / CHLORIDE ION / クロリド


分子量: 35.453 Da / 分子数: 4 / 由来タイプ: 合成 / : Cl
#8: 化合物 ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / グリセロ-ル


分子量: 92.094 Da / 分子数: 2 / 由来タイプ: 合成 / : C3H8O3
#9: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 41 / 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: 3.27 Å3/Da / 溶媒含有率: 62.4 % / 解説: Brown pyramid
結晶化温度: 293.15 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 8.5
詳細: The purified protein was crystallised at a final concentration of 18.3 mg/ml with 2 mM ADP and 2 mM MgCl2 by spotting 0.7 ul of crystallisation solution with 0.7 ul of protein sample. ...詳細: The purified protein was crystallised at a final concentration of 18.3 mg/ml with 2 mM ADP and 2 mM MgCl2 by spotting 0.7 ul of crystallisation solution with 0.7 ul of protein sample. Crystallisation was done anaerobically in a Coy tent containing N2/H2 (97:3%) atmosphere. The screening was done at 20 degrees Celsius on 96-Well MRC 2-drop polystyrene (SWISSCI) plates containing 90 ul of crystallisation solution. The crystallisation solution in which crystals were obtained contained 20 % w/v polyethylene glycol 3350, 100 mM Bis-Tris propane pH 8.5 and 200 mM sodium nitrate. Sealed plates were stored inside the same anaerobic chamber where the crystallisation was performed. The crystals in complex with MgADP were soaked in the crystallisation solution supplemented with 20% ethylene glycol prior to freezing 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: SLS / ビームライン: X06SA / 波長: 0.99999 Å
検出器タイプ: DECTRIS EIGER X 16M / 検出器: PIXEL / 日付: 2022年9月3日
放射プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長波長: 0.99999 Å / 相対比: 1
反射解像度: 2.49→120.26 Å / Num. obs: 91224 / % possible obs: 91.2 % / 冗長度: 20.8 % / Biso Wilson estimate: 79.27 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.176 / Rpim(I) all: 0.04 / Rrim(I) all: 0.18 / Net I/σ(I): 15.5
反射 シェル解像度: 2.49→2.83 Å / 冗長度: 19.3 % / Rmerge(I) obs: 2.314 / Mean I/σ(I) obs: 2 / Num. unique obs: 4487 / CC1/2: 0.68 / Rpim(I) all: 0.529 / Rrim(I) all: 2.375 / % possible all: 77.5

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解析

ソフトウェア
名称バージョン分類
PHENIX(1.20.1_4487: ???)精密化
autoPROCデータ削減
autoPROCデータスケーリング
PHENIX位相決定
精密化構造決定の手法: 分子置換 / 解像度: 2.49→49.26 Å / SU ML: 0.25 / 交差検証法: FREE R-VALUE / σ(F): 1.33 / 位相誤差: 33.07 / 立体化学のターゲット値: ML
詳細: Translation-libration screw was used during refinement. The model was refined with riding hydrogens that were omitted in the final deposited model.
Rfactor反射数%反射
Rfree0.242 4417 4.85 %
Rwork0.221 --
obs0.222 91144 54.4 %
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: 79.27 Å2
精密化ステップサイクル: LAST / 解像度: 2.49→49.26 Å
タンパク質核酸リガンド溶媒全体
原子数25660 0 464 41 26165
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.00926575
X-RAY DIFFRACTIONf_angle_d1.25835852
X-RAY DIFFRACTIONf_dihedral_angle_d15.47610080
X-RAY DIFFRACTIONf_chiral_restr0.0853942
X-RAY DIFFRACTIONf_plane_restr0.0044595
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.49-2.520.404480.33577X-RAY DIFFRACTION2
2.52-2.550.5484110.3796136X-RAY DIFFRACTION3
2.55-2.580.4817240.3369214X-RAY DIFFRACTION4
2.58-2.610.3523180.3559287X-RAY DIFFRACTION6
2.61-2.650.3998210.3401349X-RAY DIFFRACTION7
2.65-2.680.6342220.3737452X-RAY DIFFRACTION9
2.68-2.720.3666300.3601564X-RAY DIFFRACTION11
2.72-2.760.2584340.3284701X-RAY DIFFRACTION13
2.76-2.810.3509610.3608934X-RAY DIFFRACTION18
2.81-2.850.4535500.35271212X-RAY DIFFRACTION23
2.85-2.90.348790.35321397X-RAY DIFFRACTION27
2.9-2.950.3814730.33571606X-RAY DIFFRACTION30
2.95-3.010.3147890.32211928X-RAY DIFFRACTION37
3.01-3.070.33931220.32142394X-RAY DIFFRACTION45
3.07-3.140.32671590.31992943X-RAY DIFFRACTION56
3.14-3.210.32271810.30483594X-RAY DIFFRACTION68
3.21-3.290.33081990.29363961X-RAY DIFFRACTION75
3.29-3.380.33462130.2774380X-RAY DIFFRACTION82
3.38-3.480.3061480.2812761X-RAY DIFFRACTION52
3.48-3.590.2852720.25545200X-RAY DIFFRACTION98
3.59-3.720.2842090.26494342X-RAY DIFFRACTION82
3.72-3.870.27372610.23565287X-RAY DIFFRACTION100
3.87-4.050.26252230.22574141X-RAY DIFFRACTION78
4.05-4.260.23552590.20515339X-RAY DIFFRACTION100
4.26-4.530.21192680.18455360X-RAY DIFFRACTION100
4.53-4.870.20272520.1725354X-RAY DIFFRACTION100
4.87-5.360.21382720.18945373X-RAY DIFFRACTION100
5.36-6.140.22792690.20785414X-RAY DIFFRACTION100
6.14-7.730.21542730.20965453X-RAY DIFFRACTION100
7.73-49.260.18223170.18165574X-RAY DIFFRACTION99
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)
13.96780.0101-0.47863.8597-0.92493.59790.0204-0.58130.70991.1813-0.38480.8279-0.13340.16890.27440.6311-0.05850.14730.4387-0.02390.5879-4.0885120.644728.1907
22.6132-0.8303-0.38894.9364-1.11393.18920.1546-0.49860.17890.9713-0.22330.73390.00250.03670.07640.7915-0.10950.21020.5491-0.06480.4277-11.0526104.506136.1773
31.85061.56110.00613.2897-0.6284.02280.3407-0.47730.23341.8377-0.1581.3118-0.3269-0.2721-0.11540.7771-0.10740.37190.7336-0.04970.7036-17.2052105.537338.8688
48.5987-7.2002-6.3475.91975.82844.9562-0.0239-0.10820.44250.60670.0123-0.46310.10060.3666-0.02180.5946-0.08440.07880.68790.04330.3474-20.109965.12637.0669
53.24860.753-0.42186.3474-3.28426.71040.0280.43880.1908-0.13550.211.0047-0.0268-0.7937-0.20880.3755-0.11610.00930.6332-0.02430.411-28.693859.949727.8415
62.1458-1.5102-0.20493.3984-0.85512.8565-0.02150.2070.22910.44830.03460.328-0.0658-0.3209-0.03260.5138-0.0299-0.00070.5230.00130.3543-19.537364.657830.4091
74.31010.19350.34961.35070.76134.8571-0.1447-0.5138-0.58290.3540.09410.02590.44240.02490.05930.67670.01370.11910.46830.10070.3316-13.925249.332238.7672
83.4188-1.57591.07364.4667-0.01280.16330.09810.38390.1592-0.3792-0.4787-0.4132-0.28030.1710.35090.5886-0.0320.03170.48260.07920.30166.006652.306211.0032
94.7177-1.8894-2.1144.05944.83827.2071-0.21130.08890.81280.34040.0172-0.2381-0.51460.16130.06920.5461-0.0237-0.07360.33350.11430.767515.037863.868721.0217
109.284-6.1562-4.95356.42584.57443.02930.1458-0.53240.4485-0.29970.2974-0.3916-0.15460.5094-0.35930.54510.022-0.1050.34190.0390.41857.150659.949619.4178
113.3547-1.03420.64692.1151-0.04080.77760.13970.58970.2478-0.4057-0.1662-0.17410.1855-0.21390.0340.5386-0.01820.01570.50960.00010.2008-2.058959.628510.6704
125.97611.2079-1.24052.24670.26231.89570.32970.6018-0.32650.8186-0.2679-0.1809-0.2220.0849-0.18670.6120.0109-0.04490.5758-0.14590.3402-8.772150.42457.8571
135.8101-1.0691.89161.4365-0.29980.74840.2720.2991-0.6714-0.3158-0.08090.18890.5128-0.1437-0.13330.6891-0.07730.05380.4471-0.15270.4041-0.279939.886811.8671
147.55590.6548-1.94153.5586-0.24965.15960.31970.5473-0.5785-0.3992-0.34070.40360.4277-0.76630.06290.611-0.0006-0.13620.5702-0.19930.4677-17.910747.23358.1761
157.047-1.3329-1.45780.71570.51991.6959-0.06170.32920.54780.11680.10690.1993-0.1615-0.1422-0.04120.6030.03930.03140.33180.01260.392539.55946.831415.7317
163.88080.5868-0.35312.76010.15982.3034-0.0730.5085-0.16620.00150.04310.14280.2568-0.08230.02790.6490.06650.07560.4228-0.08710.311632.852336.111810.9624
173.5251.52170.70441.67720.56071.4273-0.09720.1742-0.9620.14970.0387-0.18070.1934-0.0570.08870.78280.1510.19310.4122-0.09990.592645.159426.732211.5578
184.5942.4035-1.75431.83730.59974.12940.2525-0.7017-0.16630.1242-0.1632-0.2605-0.1361-0.1939-0.07610.90710.08650.12230.42510.10310.603721.657421.509738.1695
191.6566-1.52572.7313.8592-1.7654.81250.0244-0.6395-1.31390.06270.1254-0.23010.5724-0.5201-0.13220.6552-0.02230.02430.46310.20040.769620.895316.015133.6624
205.82860.23112.51684.5774-0.78676.80670.2662-0.4521-0.95640.28720.02151.010.1121-0.5687-0.20650.5727-0.04620.0730.44470.04640.90110.409316.299222.6198
212.8980.36623.02315.2612-1.83673.4724-0.1176-0.3784-0.34430.23720.46430.1960.4494-0.5618-0.47610.6304-0.01860.17010.45870.01750.628517.551820.679425.6695
224.84221.59922.40632.44190.57973.09020.047-0.7961-0.37950.54590.04510.6096-0.4203-0.6292-0.10820.67570.06320.17870.43050.04050.619617.66627.701633.6337
236.78933.4456-2.34573.24870.46372.46220.19330.59740.3206-0.3990.14660.6513-1.4025-0.426-0.20541.00880.15680.09210.558-0.04240.311132.352737.174634.4008
249.1846-5.2559-1.99347.10242.74424.29620.40820.74490.36030.1296-0.3755-0.5675-0.2678-0.6255-0.1030.87980.03170.01750.54160.17660.619531.198430.409939.6752
252.18210.76360.27534.18440.24443.68610.2386-0.3426-0.82920.4314-0.1948-0.55850.50620.1384-0.02430.63740.008-0.0110.45070.22530.685134.681316.974540.1299
266.05732.2812-3.25296.9132-1.46974.05050.9123-0.6922-0.30460.9674-0.4278-0.8405-1.05640.2727-0.46370.84-0.0958-0.00690.64130.09450.471939.164235.901740.6906
277.72731.689-0.8017.3294-0.64440.1687-1.00070.5325-0.7896-1.38760.8438-0.4989-0.619-0.37340.10671.07340.0550.07550.53-0.15250.630466.840661.56896.851
282.96073.2373-0.44779.1327-3.03512.73630.3622-0.23760.6821-0.0902-0.14940.39290.23210.1138-0.1770.51010.08920.03910.4684-0.12720.496163.717371.322716.5702
292.79462.0103-0.4119.1313-2.68341.929-0.13570.02710.2612-0.41440.08670.60340.4385-0.0690.11010.57940.07580.05350.3917-0.13210.489560.760561.098614.3394
305.055-0.5306-2.1563.6725-2.17323.5495-0.42921.2446-0.2227-0.74910.3846-0.88990.0968-0.22610.00740.94510.14950.26920.5424-0.11960.652970.345255.7099.9743
313.6082.0674-1.0763.1954-2.09172.7501-0.3706-0.5039-0.6162-0.79250.0746-1.54120.42330.04360.29120.62120.19770.36320.6409-0.21751.285678.151752.625510.6426
322.1361-1.8057-0.65591.8463-0.3092.8579-0.49440.1894-1.257-0.0659-1.0055-1.9901-0.18261.6101-0.43250.08110.34930.8810.7639-0.29452.273687.819159.1449.8726
335.3585-0.432-0.32446.3444-1.02220.0885-0.43880.11890.3538-0.18140.3051-1.9632-0.1602-0.01130.04830.44010.03720.14780.5564-0.11431.03380.35876.029514.3781
343.12642.6902-1.26493.3031-0.57370.62270.1934-0.2532-1.2058-1.2012-0.3344-2.84960.29450.07210.22880.97320.04870.53720.8464-0.08561.942885.326949.10888.3565
352.5501-2.5510.51933.1778-0.08621.73820.4724-0.3899-0.13351.9027-0.481-2.35731.31460.00070.0321.73570.0509-0.8191.13850.15691.262679.382338.975336.235
365.0561-1.66352.19471.2371.38367.96620.09490.2092-0.64010.7607-0.1662-0.64791.0410.7781-0.05680.84940.0983-0.22160.68530.25841.602775.631627.607123.13
371.89120.04830.93394.6477-1.69073.3050.3966-0.9742-0.54161.8618-0.4325-1.12610.1947-0.1951-0.01051.1223-0.0127-0.3320.7620.14750.834370.708242.427932.3723
381.9409-0.0854-0.03324.1505-0.45313.22350.0907-0.5264-0.26452.0953-0.2449-2.0588-0.11790.55020.20611.2571-0.1113-0.59371.09150.13341.333681.762653.124539.9688
393.6788-1.2019-1.1281.64632.65956.5269-0.1403-0.82590.25791.0133-0.0895-1.16570.28730.26020.2270.91820.045-0.42420.90990.00211.04390.644298.663236.1963
408.2944-0.53753.01613.30520.54473.4864-0.3031-0.6550.37220.4222-0.1688-0.7684-0.04410.58550.38480.57070.1518-0.12811.08010.03411.185896.162591.541323.7061
412.13870.4667-1.58830.0383-0.45411.3-1.0847-0.8674-0.33861.66570.4932-0.78310.35560.64030.51580.97680.2618-0.45010.9936-0.0561.036488.841788.830932.2732
424.5549-1.0929-1.33841.8905-0.08343.6698-0.0729-1.35690.61961.01010.2846-1.0511-0.18920.5739-0.14131.07660.0845-0.36651.0596-0.21320.909180.6746104.49738.4139
433.34910.38671.07243.7645-2.98042.9933-0.2296-0.75270.06421.96720.50680.024-0.29770.1702-0.25251.44020.1070.00211.097-0.03270.516767.1312104.959540.5521
443.5593-1.36580.31394.3119-0.87571.90430.15110.55940.0765-0.1326-0.2369-0.31290.1220.32950.08120.4230.04270.17090.4829-0.00580.418564.2064104.070413.3365
451.4409-2.0290.10223.02510.0070.2470.3410.53911.2824-0.4697-0.2111-1.39240.18640.447-0.03360.7835-0.03320.45010.96450.1771.341984.5095110.00729.6852
464.675-0.8613-0.30347.80022.50325.7181-0.11051.1999-0.596-0.3095-0.4311-0.04370.7627-0.03240.47830.5689-0.16890.05830.909-0.01110.460931.2842116.34186.9108
474.9251-0.87461.22590.9578-0.76360.5017-0.26510.494-0.4801-0.04240.23050.0482-0.02310.21010.03180.4812-0.08260.14540.6088-0.04980.387520.8621115.224612.0121
487.9579-3.4780.22552.02490.23052.5549-0.8317-0.5221-1.855-0.04580.68810.21640.17490.12940.25250.639-0.00630.14650.39750.10010.748726.6539105.804422.7516
494.52531.10090.58781.24140.36252.5079-0.30320.7263-0.7876-0.12150.1915-0.17280.52030.15610.09160.4572-0.02350.14670.3919-0.06540.54931.6615107.981314.65
503.67091.52740.60983.4939-1.81012.7177-0.21580.87510.4289-0.27560.1521-0.0787-0.43350.00890.04410.5588-0.09940.05150.51190.16480.420933.6784127.502110.8033
514.34542.7022-1.23462.6343-0.2120.6885-0.31260.61590.7787-0.35560.32490.251-0.2883-0.0451-0.01070.58610.0454-0.14140.51590.19240.526716.5621127.169112.4514
525.32490.68330.20171.81891.50942.896-0.20570.60481.3275-0.40860.47510.4899-0.6312-0.3952-0.24540.71080.00830.05640.68330.37870.757932.002138.973310.3411
537.77133.08291.99193.782-0.68216.83180.3377-0.47110.11620.6993-0.23030.14550.29210.488-0.08310.72880.010.04620.3516-0.03120.444143.9867134.654539.2048
545.9598-0.7446-4.70075.52391.03626.78880.2401-0.44911.2576-0.22580.0406-0.4909-0.58490.1427-0.30320.4643-0.05870.06370.381-0.0280.619645.0318140.294734.9542
556.8994-3.4661-1.00737.92653.52476.3061.10120.41611.0744-1.0858-0.381-1.7121-0.8130.7759-0.7160.6211-0.05740.20480.45340.03621.018855.7761140.478624.3458
563.58631.608-0.8582.86650.10413.86680.0702-0.32930.13790.1867-0.1694-0.1055-0.24950.44220.13240.4968-0.08040.11990.37050.04520.674751.7989132.634527.5192
573.83962.0904-1.51273.3898-0.43283.0230.2267-0.34570.17910.4147-0.0502-0.31650.46970.4149-0.20070.64960.09730.0470.43440.01140.436942.295126.143435.8961
585.4586-2.1142-0.9268.0376-0.79827.11881.0146-0.03520.15610.2104-0.78280.176-0.30830.8286-0.30040.7015-0.09380.10370.4642-0.05570.390134.5138125.808340.1466
591.92440.5121-1.29014.9008-1.28164.82550.3231-0.24370.55480.5063-0.06780.4964-0.3707-0.0938-0.2660.48160.04780.08790.4477-0.03170.45629.5374133.465140.7842
609.60790.0615-3.56558.30390.3976.895-0.79351.3090.5668-1.96350.2208-0.58980.2938-0.3920.24010.68730.05460.03690.32080.1280.49160.148195.35736.0144
614.21463.67820.46386.8867-0.16750.1051-0.0731-0.1338-0.3984-0.2484-0.2871-0.60470.08190.27050.33630.53530.120.0650.5090.14030.2963-4.322785.83212.6357
625.48014.7412-1.15925.84041.40273.21930.1025-0.3229-0.48370.1499-0.3331-1.2914-0.19550.23940.25990.4265-0.0201-0.09840.5280.20080.64678.553187.74523.761
632.574-0.38890.98518.06342.71991.23410.4151-0.10250.01690.2131-0.1768-1.82630.1020.3082-0.25080.4697-0.0457-0.00860.51090.20590.62298.6188.866618.3004
641.4126-0.74331.1716.96190.39813.044-0.22470.2926-0.007-0.10580.0342-1.07970.18020.35670.18060.3858-0.06280.04550.37280.10910.50285.619294.710410.9932
653.55260.69341.26823.25360.55514.28030.11240.26070.4322-0.7141-0.31020.1335-0.16270.30190.16940.48070.0478-0.07990.44610.16230.3246-6.6685104.44719.8635
669.97252.0927-3.33664.8032-0.06784.36310.8271-0.0350.18630.0303-0.66720.0707-0.51840.2364-0.13810.57540.0754-0.10240.49250.11220.4087-11.922100.97677.2485
671.6743-0.83881.28153.838-2.08131.8907-0.041-0.12130.16450.05630.17160.4779-0.1802-0.4058-0.12740.3730.0346-0.07670.5233-0.00980.4054-16.947388.337110.8805
681.89461.2393-0.41853.190.31240.54560.220.43030.1975-0.8453-0.63591.4146-0.6952-0.83950.15880.44510.1735-0.19420.70180.060.7715-18.8566107.70876.6934
694.1154-2.1369-2.17194.4585-0.18115.30340.3676-0.19840.89341.1385-0.14721.392-0.70670.2693-0.17170.747-0.04390.27390.469-0.10780.8198-14.2865119.56832.8382
702.61610.0014-3.2790.1025-0.39725.27290.27860.63741.40671.57850.15331.0808-0.9365-0.3422-0.37450.96420.04720.2770.53260.05121.1535-9.494129.77523.8564
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'J' and (resid 96 through 140 )
2X-RAY DIFFRACTION2chain 'J' and (resid 141 through 230 )
3X-RAY DIFFRACTION3chain 'J' and (resid 231 through 281 )
4X-RAY DIFFRACTION4chain 'K' and (resid 2 through 22 )
5X-RAY DIFFRACTION5chain 'K' and (resid 23 through 77 )
6X-RAY DIFFRACTION6chain 'K' and (resid 78 through 178 )
7X-RAY DIFFRACTION7chain 'K' and (resid 179 through 282 )
8X-RAY DIFFRACTION8chain 'L' and (resid 3 through 57 )
9X-RAY DIFFRACTION9chain 'L' and (resid 58 through 87 )
10X-RAY DIFFRACTION10chain 'L' and (resid 88 through 105 )
11X-RAY DIFFRACTION11chain 'L' and (resid 106 through 178 )
12X-RAY DIFFRACTION12chain 'L' and (resid 179 through 199 )
13X-RAY DIFFRACTION13chain 'L' and (resid 200 through 256 )
14X-RAY DIFFRACTION14chain 'L' and (resid 257 through 282 )
15X-RAY DIFFRACTION15chain 'A' and (resid 2 through 105 )
16X-RAY DIFFRACTION16chain 'A' and (resid 106 through 199 )
17X-RAY DIFFRACTION17chain 'A' and (resid 200 through 281 )
18X-RAY DIFFRACTION18chain 'B' and (resid 3 through 36 )
19X-RAY DIFFRACTION19chain 'B' and (resid 37 through 57 )
20X-RAY DIFFRACTION20chain 'B' and (resid 58 through 87 )
21X-RAY DIFFRACTION21chain 'B' and (resid 88 through 105 )
22X-RAY DIFFRACTION22chain 'B' and (resid 106 through 162 )
23X-RAY DIFFRACTION23chain 'B' and (resid 163 through 178 )
24X-RAY DIFFRACTION24chain 'B' and (resid 179 through 199 )
25X-RAY DIFFRACTION25chain 'B' and (resid 200 through 256 )
26X-RAY DIFFRACTION26chain 'B' and (resid 257 through 282 )
27X-RAY DIFFRACTION27chain 'C' and (resid 2 through 22 )
28X-RAY DIFFRACTION28chain 'C' and (resid 23 through 95 )
29X-RAY DIFFRACTION29chain 'C' and (resid 96 through 140 )
30X-RAY DIFFRACTION30chain 'C' and (resid 141 through 162 )
31X-RAY DIFFRACTION31chain 'C' and (resid 163 through 199 )
32X-RAY DIFFRACTION32chain 'C' and (resid 200 through 223 )
33X-RAY DIFFRACTION33chain 'C' and (resid 224 through 256 )
34X-RAY DIFFRACTION34chain 'C' and (resid 257 through 280 )
35X-RAY DIFFRACTION35chain 'D' and (resid 4 through 57 )
36X-RAY DIFFRACTION36chain 'D' and (resid 58 through 87 )
37X-RAY DIFFRACTION37chain 'D' and (resid 88 through 178 )
38X-RAY DIFFRACTION38chain 'D' and (resid 179 through 280 )
39X-RAY DIFFRACTION39chain 'E' and (resid 4 through 57 )
40X-RAY DIFFRACTION40chain 'E' and (resid 58 through 105 )
41X-RAY DIFFRACTION41chain 'E' and (resid 106 through 140 )
42X-RAY DIFFRACTION42chain 'E' and (resid 141 through 256 )
43X-RAY DIFFRACTION43chain 'E' and (resid 257 through 282 )
44X-RAY DIFFRACTION44chain 'F' and (resid 3 through 256 )
45X-RAY DIFFRACTION45chain 'F' and (resid 257 through 282 )
46X-RAY DIFFRACTION46chain 'G' and (resid 2 through 22 )
47X-RAY DIFFRACTION47chain 'G' and (resid 23 through 52 )
48X-RAY DIFFRACTION48chain 'G' and (resid 53 through 73 )
49X-RAY DIFFRACTION49chain 'G' and (resid 74 through 140 )
50X-RAY DIFFRACTION50chain 'G' and (resid 141 through 199 )
51X-RAY DIFFRACTION51chain 'G' and (resid 200 through 256 )
52X-RAY DIFFRACTION52chain 'G' and (resid 257 through 282 )
53X-RAY DIFFRACTION53chain 'H' and (resid 3 through 36 )
54X-RAY DIFFRACTION54chain 'H' and (resid 37 through 57 )
55X-RAY DIFFRACTION55chain 'H' and (resid 58 through 87 )
56X-RAY DIFFRACTION56chain 'H' and (resid 88 through 119 )
57X-RAY DIFFRACTION57chain 'H' and (resid 120 through 178 )
58X-RAY DIFFRACTION58chain 'H' and (resid 179 through 199 )
59X-RAY DIFFRACTION59chain 'H' and (resid 200 through 282 )
60X-RAY DIFFRACTION60chain 'I' and (resid 2 through 22 )
61X-RAY DIFFRACTION61chain 'I' and (resid 23 through 57 )
62X-RAY DIFFRACTION62chain 'I' and (resid 58 through 73 )
63X-RAY DIFFRACTION63chain 'I' and (resid 74 through 105 )
64X-RAY DIFFRACTION64chain 'I' and (resid 106 through 140 )
65X-RAY DIFFRACTION65chain 'I' and (resid 141 through 178 )
66X-RAY DIFFRACTION66chain 'I' and (resid 179 through 199 )
67X-RAY DIFFRACTION67chain 'I' and (resid 200 through 256 )
68X-RAY DIFFRACTION68chain 'I' and (resid 257 through 281 )
69X-RAY DIFFRACTION69chain 'J' and (resid 3 through 65 )
70X-RAY DIFFRACTION70chain 'J' and (resid 66 through 95 )

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万見について

-
お知らせ

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2022年2月9日: EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

  • EMDBのヘッダファイルのバージョン3が、公式のフォーマットとなりました。
  • これまでは公式だったバージョン1.9は、アーカイブから削除されます。

関連情報:EMDBヘッダ

外部リンク:wwPDBはEMDBデータモデルのバージョン3へ移行します

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2020年8月12日: 新型コロナ情報

新型コロナ情報

URL: https://pdbj.org/emnavi/covid19.php

新ページ: EM Navigatorに新型コロナウイルスの特設ページを開設しました。

関連情報:Covid-19情報 / 2020年3月5日: 新型コロナウイルスの構造データ

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2020年3月5日: 新型コロナウイルスの構造データ

新型コロナウイルスの構造データ

関連情報:万見生物種 / 2020年8月12日: 新型コロナ情報

外部リンク:COVID-19特集ページ - PDBj / 今月の分子2020年2月:コロナウイルスプロテーアーゼ

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2019年1月31日: EMDBのIDの桁数の変更

EMDBのIDの桁数の変更

  • EMDBエントリに付与されているアクセスコード(EMDB-ID)は4桁の数字(例、EMD-1234)でしたが、間もなく枯渇します。これまでの4桁のID番号は4桁のまま変更されませんが、4桁の数字を使い切った後に発行されるIDは5桁以上の数字(例、EMD-12345)になります。5桁のIDは2019年の春頃から発行される見通しです。
  • EM Navigator/万見では、接頭語「EMD-」は省略されています。

関連情報:Q: 「EMD」とは何ですか? / 万見/EM NavigatorにおけるID/アクセスコードの表記

外部リンク:EMDB Accession Codes are Changing Soon! / PDBjへお問い合わせ

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2017年7月12日: PDB大規模アップデート

PDB大規模アップデート

  • 新バージョンのPDBx/mmCIF辞書形式に基づくデータがリリースされました。
  • 今回の更新はバージョン番号が4から5になる大規模なもので、全エントリデータの書き換えが行われる「Remediation」というアップデートに該当します。
  • このバージョンアップで、電子顕微鏡の実験手法に関する多くの項目の書式が改定されました(例:em_softwareなど)。
  • EM NavigatorとYorodumiでも、この改定に基づいた表示内容になります。

外部リンク:wwPDB Remediation / OneDepデータ基準に準拠した、より強化された内容のモデル構造ファイルが、PDBアーカイブで公開されました。

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万見 (Yorodumi)

幾万の構造データを、幾万の視点から

  • 万見(Yorodumi)は、EMDB/PDB/SASBDBなどの構造データを閲覧するためのページです。
  • EM Navigatorの詳細ページの後継、Omokage検索のフロントエンドも兼ねています。

関連情報:EMDB / PDB / SASBDB / 3つのデータバンクの比較 / 万見検索 / 2016年8月31日: 新しいEM Navigatorと万見 / 万見文献 / Jmol/JSmol / 機能・相同性情報 / 新しいEM Navigatorと万見の変更点

他の情報も見る