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- PDB-9r6z: Cubic state of the F420-reducing hydrogenase from Methanothermoco... -

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基本情報

登録情報
データベース: PDB / ID: 9r6z
タイトルCubic state of the F420-reducing hydrogenase from Methanothermococcus thermolithotrophicus
要素(F420-reducing [NiFe]-hydrogenase subunit ...) x 3
キーワードOXIDOREDUCTASE / [NiFe]-hydrogenase / redox cycle / catalysis / [4Fe-4S]-cluster / F420 cofactor / FAD / hydrogen activation / thermophilic methanogen
機能・相同性FLAVIN-ADENINE DINUCLEOTIDE / Chem-NFU / IRON/SULFUR CLUSTER
機能・相同性情報
生物種Methanothermococcus thermolithotrophicus DSM 2095 (古細菌)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 2.85 Å
データ登録者Jespersen, M. / Lemaire, O.N. / Wagner, T.
資金援助 ドイツ, 3件
組織認可番号
Max Planck Society ドイツ
German Research Foundation (DFG)WA 4053/1-1 ドイツ
German Research Foundation (DFG)ZE 510/2-2 ドイツ
引用ジャーナル: Chembiochem / : 2025
タイトル: Structural and Spectroscopic Insights into Catalytic Intermediates of a [NiFe]-hydrogenase from Group 3.
著者: Jespersen, M. / Lorent, C. / Lemaire, O.N. / Zebger, I. / Wagner, T.
履歴
登録2025年5月13日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02025年10月22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

ダウンロードとリンク

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集合体

登録構造単位
A: F420-reducing [NiFe]-hydrogenase subunit alpha
B: F420-reducing [NiFe]-hydrogenase subunit beta
C: F420-reducing [NiFe]-hydrogenase subunit gamma
D: F420-reducing [NiFe]-hydrogenase subunit alpha
E: F420-reducing [NiFe]-hydrogenase subunit beta
F: F420-reducing [NiFe]-hydrogenase subunit gamma
G: F420-reducing [NiFe]-hydrogenase subunit alpha
H: F420-reducing [NiFe]-hydrogenase subunit beta
I: F420-reducing [NiFe]-hydrogenase subunit gamma
J: F420-reducing [NiFe]-hydrogenase subunit alpha
K: F420-reducing [NiFe]-hydrogenase subunit beta
L: F420-reducing [NiFe]-hydrogenase subunit gamma
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)424,85871
ポリマ-412,00412
非ポリマー12,85359
1,26170
1
A: F420-reducing [NiFe]-hydrogenase subunit alpha
B: F420-reducing [NiFe]-hydrogenase subunit beta
C: F420-reducing [NiFe]-hydrogenase subunit gamma
D: F420-reducing [NiFe]-hydrogenase subunit alpha
E: F420-reducing [NiFe]-hydrogenase subunit beta
F: F420-reducing [NiFe]-hydrogenase subunit gamma
G: F420-reducing [NiFe]-hydrogenase subunit alpha
H: F420-reducing [NiFe]-hydrogenase subunit beta
I: F420-reducing [NiFe]-hydrogenase subunit gamma
J: F420-reducing [NiFe]-hydrogenase subunit alpha
K: F420-reducing [NiFe]-hydrogenase subunit beta
L: F420-reducing [NiFe]-hydrogenase subunit gamma
ヘテロ分子

A: F420-reducing [NiFe]-hydrogenase subunit alpha
B: F420-reducing [NiFe]-hydrogenase subunit beta
C: F420-reducing [NiFe]-hydrogenase subunit gamma
D: F420-reducing [NiFe]-hydrogenase subunit alpha
E: F420-reducing [NiFe]-hydrogenase subunit beta
F: F420-reducing [NiFe]-hydrogenase subunit gamma
G: F420-reducing [NiFe]-hydrogenase subunit alpha
H: F420-reducing [NiFe]-hydrogenase subunit beta
I: F420-reducing [NiFe]-hydrogenase subunit gamma
J: F420-reducing [NiFe]-hydrogenase subunit alpha
K: F420-reducing [NiFe]-hydrogenase subunit beta
L: F420-reducing [NiFe]-hydrogenase subunit gamma
ヘテロ分子

A: F420-reducing [NiFe]-hydrogenase subunit alpha
B: F420-reducing [NiFe]-hydrogenase subunit beta
C: F420-reducing [NiFe]-hydrogenase subunit gamma
D: F420-reducing [NiFe]-hydrogenase subunit alpha
E: F420-reducing [NiFe]-hydrogenase subunit beta
F: F420-reducing [NiFe]-hydrogenase subunit gamma
G: F420-reducing [NiFe]-hydrogenase subunit alpha
H: F420-reducing [NiFe]-hydrogenase subunit beta
I: F420-reducing [NiFe]-hydrogenase subunit gamma
J: F420-reducing [NiFe]-hydrogenase subunit alpha
K: F420-reducing [NiFe]-hydrogenase subunit beta
L: F420-reducing [NiFe]-hydrogenase subunit gamma
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)1,274,573213
ポリマ-1,236,01336
非ポリマー38,560177
59433
タイプ名称対称操作
identity operation1_555x,y,z1
crystal symmetry operation8_555-z,x+1/2,-y+1/21
crystal symmetry operation11_455y-1/2,-z+1/2,-x1
Buried area224010 Å2
ΔGint-2530 kcal/mol
Surface area344200 Å2
手法PISA
単位格子
Length a, b, c (Å)282.072, 282.072, 282.072
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number198
Space group name H-MP213

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要素

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F420-reducing [NiFe]-hydrogenase subunit ... , 3種, 12分子 ADGJBEHKCFIL

#1: タンパク質
F420-reducing [NiFe]-hydrogenase subunit alpha


分子量: 45839.492 Da / 分子数: 4 / 由来タイプ: 天然
詳細: The C-terminal extension has been cleaved off during maturation.
由来: (天然) Methanothermococcus thermolithotrophicus DSM 2095 (古細菌)
細胞株: / / 器官: / / Plasmid details: / / Variant: / / : DSM 2095 / 組織: / / 参照: coenzyme F420 hydrogenase
#2: タンパク質
F420-reducing [NiFe]-hydrogenase subunit beta


分子量: 31091.084 Da / 分子数: 4 / 由来タイプ: 天然
由来: (天然) Methanothermococcus thermolithotrophicus DSM 2095 (古細菌)
細胞株: / / 器官: / / Plasmid details: / / Variant: / / : DSM 2095 / 組織: / / 参照: coenzyme F420 hydrogenase
#3: タンパク質
F420-reducing [NiFe]-hydrogenase subunit gamma


分子量: 26070.508 Da / 分子数: 4 / 由来タイプ: 天然
由来: (天然) Methanothermococcus thermolithotrophicus DSM 2095 (古細菌)
細胞株: / / 器官: / / Plasmid details: / / Variant: / / : DSM 2095 / 組織: / / 参照: coenzyme F420 hydrogenase

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非ポリマー , 6種, 129分子

#4: 化合物
ChemComp-SO4 / SULFATE ION


分子量: 96.063 Da / 分子数: 20 / 由来タイプ: 合成 / : SO4
#5: 化合物
ChemComp-NFU / formyl[bis(hydrocyanato-1kappaC)]ironnickel(Fe-Ni) / NI-FE REDUCED ACTIVE CENTER


分子量: 195.591 Da / 分子数: 4 / 由来タイプ: 合成 / : C3HFeN2NiO / タイプ: SUBJECT OF INVESTIGATION
#6: 化合物
ChemComp-FAD / FLAVIN-ADENINE DINUCLEOTIDE


分子量: 785.550 Da / 分子数: 4 / 由来タイプ: 合成 / : C27H33N9O15P2 / タイプ: SUBJECT OF INVESTIGATION / コメント: FAD*YM
#7: 化合物
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


分子量: 92.094 Da / 分子数: 15 / 由来タイプ: 合成 / : C3H8O3
#8: 化合物
ChemComp-SF4 / IRON/SULFUR CLUSTER


分子量: 351.640 Da / 分子数: 16 / 由来タイプ: 合成 / : Fe4S4 / タイプ: SUBJECT OF INVESTIGATION
#9: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 70 / 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
Has protein modificationN

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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: 4.66 Å3/Da / 溶媒含有率: 73.61 % / 解説: Black hexagones
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: 7.5
詳細: The enzyme used for crystallisation was concentrated at 16 mg/ml in a buffer containing 25 mM Tris/HCl pH 7.6, 10% (v/v) glycerol, 2 mM dithiothreitol and 2 mM FAD. Crystals were obtained ...詳細: The enzyme used for crystallisation was concentrated at 16 mg/ml in a buffer containing 25 mM Tris/HCl pH 7.6, 10% (v/v) glycerol, 2 mM dithiothreitol and 2 mM FAD. Crystals were obtained anaerobically in a Coy tent filled with a N2/H2 (97:3 %) atmosphere by initial screening at 20 degree Celsius using the sitting-drop method on 96-well MRC two-drop crystallisation plates in polystyrene (SWISSCI) containing 90 ul of crystallisation solution in the reservoir. The crystallisation solution was 1.5 M LiSO4 and 100 mM HEPES pH 7.5. Prior to freezing, the crystal was soaked in the crystallisation solution supplemented with 30% (v/v) glycerol.

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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: ESRF / ビームライン: BM30A / 波長: 1.3871 Å
検出器タイプ: ADSC QUANTUM 315r / 検出器: CCD / 日付: 2016年9月23日
放射プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長波長: 1.3871 Å / 相対比: 1
反射解像度: 2.85→49.1 Å / Num. obs: 173025 / % possible obs: 100 % / 冗長度: 7.6 % / CC1/2: 0.988 / Rmerge(I) obs: 0.217 / Rpim(I) all: 0.085 / Rrim(I) all: 0.233 / Net I/σ(I): 6
反射 シェル解像度: 2.85→3 Å / 冗長度: 7.8 % / Rmerge(I) obs: 1.497 / Mean I/σ(I) obs: 1.2 / Num. unique obs: 25112 / CC1/2: 0.433 / Rpim(I) all: 0.572 / Rrim(I) all: 1.605 / % possible all: 100

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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
BUSTER精密化
PDB_EXTRACTデータ抽出
XDS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 / 解像度: 2.85→31.34 Å / SU ML: 0.36 / 交差検証法: THROUGHOUT / σ(F): 1.33 / 位相誤差: 23.37 / 立体化学のターゲット値: ML
詳細: Model was improved in Coot and refined initially with Buster, then Phenix. In Phenix the model was initially refined with hydrogens in riding position and translation libration screw (TLS). ...詳細: Model was improved in Coot and refined initially with Buster, then Phenix. In Phenix the model was initially refined with hydrogens in riding position and translation libration screw (TLS). Next steps were performed without hydrogens, with TLS.
Rfactor反射数%反射Selection details
Rfree0.2101 8753 5.07 %Random selection
Rwork0.1823 ---
obs0.1837 172727 99.91 %-
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: 82 Å2
精密化ステップサイクル: LAST / 解像度: 2.85→31.34 Å
タンパク質核酸リガンド溶媒全体
原子数28188 0 562 70 28820
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.00629339
X-RAY DIFFRACTIONf_angle_d0.87839841
X-RAY DIFFRACTIONf_dihedral_angle_d16.03410888
X-RAY DIFFRACTIONf_chiral_restr0.0564554
X-RAY DIFFRACTIONf_plane_restr0.0054986
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.85-2.880.33842810.31695394X-RAY DIFFRACTION100
2.88-2.920.34523150.31235387X-RAY DIFFRACTION100
2.92-2.950.35462970.31315374X-RAY DIFFRACTION100
2.95-2.990.37032830.30965508X-RAY DIFFRACTION100
2.99-3.030.33762410.30355463X-RAY DIFFRACTION100
3.03-3.070.33473140.28045363X-RAY DIFFRACTION100
3.07-3.110.31083090.27015417X-RAY DIFFRACTION100
3.11-3.160.31752820.26345452X-RAY DIFFRACTION100
3.16-3.210.33062890.26335448X-RAY DIFFRACTION100
3.21-3.260.30613080.26375402X-RAY DIFFRACTION100
3.26-3.320.29583270.25125474X-RAY DIFFRACTION100
3.32-3.380.30152990.23425361X-RAY DIFFRACTION100
3.38-3.440.24862840.22315452X-RAY DIFFRACTION100
3.44-3.510.2442840.20385479X-RAY DIFFRACTION100
3.51-3.590.25892930.2015441X-RAY DIFFRACTION100
3.59-3.670.23992760.19425478X-RAY DIFFRACTION100
3.67-3.760.2172710.195467X-RAY DIFFRACTION100
3.77-3.870.22362580.18415496X-RAY DIFFRACTION100
3.87-3.980.21922960.17775417X-RAY DIFFRACTION100
3.98-4.110.21992820.16995515X-RAY DIFFRACTION100
4.11-4.250.19222820.15975456X-RAY DIFFRACTION100
4.26-4.420.17163030.15545479X-RAY DIFFRACTION100
4.43-4.620.16353250.14625427X-RAY DIFFRACTION100
4.63-4.870.16652740.14495530X-RAY DIFFRACTION100
4.87-5.170.16812890.15215486X-RAY DIFFRACTION100
5.17-5.570.16652960.1585494X-RAY DIFFRACTION100
5.57-6.130.17942910.16235541X-RAY DIFFRACTION100
6.13-70.17662900.15785521X-RAY DIFFRACTION100
7.01-8.790.14863030.13555546X-RAY DIFFRACTION100
8.79-31.340.14973110.14345706X-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)
12.7410.1498-1.0240.93231.81374.1490.6736-0.2578-0.44220.25670.46151.34420.2618-0.623-1.16371.1553-0.5354-0.00471.00980.32581.2989-108.878835.513572.1227
21.7599-0.60240.09071.7867-0.06871.6342-0.0229-0.27970.09140.1865-0.03650.28180.2123-0.27580.04990.5339-0.24880.08420.69280.10210.7834-105.408164.168967.7813
38.84560.9397-1.58171.00770.59070.89120.2432-1.5437-0.31510.6678-0.24510.29530.13320.04180.04041.0882-0.31210.21091.05140.21811.0091-104.119344.926685.4807
40.9818-0.5289-0.18221.3762-0.05991.43270.0381-0.1633-0.07910.0891-0.15350.10850.2617-0.08490.12730.6067-0.21840.07170.69820.14930.8583-93.211856.978367.8595
50.80060.2714-0.43922.12620.20240.7297-0.2581-0.277-0.7395-0.0240.06080.44460.8546-0.7320.22120.8927-0.39580.07931.01530.28741.133-106.003643.830573.686
60.9701-1.0067-0.9371.8507-0.42834.68710.12150.01940.2366-0.04920.0570.3338-0.4816-0.3402-0.17150.4244-0.0591-0.04120.6873-0.04740.8509-120.272595.42547.2535
70.9260.1798-0.38361.2237-0.4481.14370.03140.00390.0141-0.095-0.01130.5745-0.0855-0.5846-0.01770.4318-0.0463-0.10670.92950.0440.9852-124.164589.38338.8855
82.34631.6752-0.40412.8096-2.40463.22260.3104-0.2935-0.32390.4063-0.36160.64940.0746-0.13920.05720.7635-0.36820.14930.91360.07531.179-120.530247.501166.0313
92.0637-0.82420.06160.66540.27161.14640.18240.0151-0.5302-0.1008-0.0960.82780.3308-0.4517-0.08080.7099-0.3652-0.00270.84480.11111.1006-119.250451.196250.9948
101.0854-1.43011.1052.3349-0.9034.0771-0.05820.0829-0.08830.0101-0.2840.16270.1868-0.09390.35710.4818-0.2353-0.05680.76740.00331.0573-116.223770.393540.5233
113.31011.6082-1.18744.11850.65581.91760.28060.3934-0.3909-0.65670.30520.85940.1704-0.5142-0.60190.5886-0.0986-0.35050.9640.00490.7188-108.254485.6167-1.2385
120.8981-0.0414-0.18391.55280.12641.22250.01470.2257-0.2117-0.0297-0.01790.03550.2641-0.04480.00160.5697-0.1227-0.21590.53250.00830.5717-87.763566.89711.2525
133.90921.30233.12176.58314.14966.95180.18260.4819-0.055-0.73380.1913-0.3828-0.3101-0.0017-0.35210.7505-0.0089-0.13240.68110.07160.5211-93.457385.297-8.3409
143.5755-0.6345-1.65893.45580.74990.9512-0.07090.00860.3863-0.0390.15280.03580.0797-0.2722-0.08120.5853-0.0339-0.20760.60790.06130.4759-93.258188.349715.7765
151.502-0.3638-0.43132.40310.00060.39280.03830.1078-0.03790.0474-0.0684-0.1385-0.0226-0.01690.03880.5356-0.1067-0.19730.50940.0430.4714-83.567577.995213.5121
162.8335-0.46441.67931.9787-1.23185.86950.12540.33840.0341-0.20830.12320.5840.2416-0.7078-0.22760.4368-0.0888-0.15040.5066-0.0350.5267-97.642481.985510.6287
172.56261.31231.00532.3249-0.18634.2523-0.14360.0661-0.87710.36720.00070.40140.9459-0.26420.14761.1462-0.0428-0.01940.5542-0.10691.2221-86.058422.504926.0558
181.3379-0.6668-1.43251.3713-0.49173.7070.1443-0.1615-0.33480.1476-0.0193-0.00390.13290.2475-0.15790.7341-0.1577-0.14480.57020.02410.9128-80.327836.90529.7964
191.8212-1.5852-0.30321.64-0.21661.2193-0.0247-0.08570.1544-0.4704-0.0947-0.2621-0.15820.26480.22640.8465-0.1738-0.17410.498-0.0370.8562-85.608347.330621.8077
203.36-1.6961-1.27633.1507-1.01331.68450.21750.2057-1.0322-0.2688-0.03510.5071-0.030.1667-0.16040.881-0.3154-0.11230.5643-0.10340.9579-95.43138.329623.5625
211.6737-0.10170.60731.26161.1981.74470.07640.1924-0.6158-0.3602-0.02950.48050.558-0.0503-0.10451.0524-0.2135-0.24460.5405-0.02560.9745-93.832339.530324.1979
225.7169-1.634-0.27550.51230.2652.58620.1729-0.2569-0.67380.3713-0.0823-0.02020.6426-0.3631-0.11651.0703-0.218-0.1310.49290.12980.9195-85.534932.508249.51
236.8706-0.4124-1.25111.4740.06251.8074-0.442-0.2611-1.03440.07110.406-0.02710.5917-0.2259-0.0051.33060.00470.00980.591701.1783-83.156823.70248.6681
241.8543-0.5457-2.00110.18930.65182.347-0.0311-0.2245-1.0439-0.53330.25371.28070.89930.0564-0.10281.2129-0.4709-0.05150.71320.07391.2834-99.534430.936445.8969
253.6530.428-0.09051.43340.23740.3474-0.04010.1077-0.884-0.0515-0.12180.34650.6826-0.10530.16921.1858-0.2091-0.18010.5564-0.12071.182-90.250724.93222.6967
267.44074.0195-2.7932.3379-2.30965.13060.14290.2367-1.27260.59060.3068-0.1221.417-0.066-0.40651.5106-0.00030.00250.7403-0.14941.2663-84.966413.940823.6145
272.003-2.5136-0.07453.3324-0.36410.76580.2942-0.4076-0.4732-0.22360.10230.32050.3676-0.2988-0.35311.2438-0.4868-0.18510.865-0.04411.2555-109.096928.479834.9074
283.3102-0.51951.95742.5754-2.20253.3374-0.14670.57670.0269-0.3577-0.21420.4719-0.1321-0.01140.33730.7233-0.1767-0.30980.8464-0.10840.7502-108.362766.68950.9413
291.6269-0.8005-0.343.76981.21791.39110.12460.1537-0.3373-0.2096-0.05580.60650.2679-0.3853-0.0350.6062-0.2212-0.240.78860.00670.7737-112.437561.556915.13
302.9727-0.6517-1.47823.234-2.86324.1736-0.01890.0576-0.32290.2859-0.22750.1593-0.21620.0960.26280.5662-0.1923-0.19520.5824-0.01990.9115-102.10248.96730.0295
312.7884-1.37560.43634.7456-1.09043.8123-0.12420.7753-0.4082-0.65530.0614-0.41090.01111.0439-0.01290.5910.18350.28911.0547-0.10260.706311.917463.863519.5788
324.6335-1.07421.23941.86650.28091.5588-0.2993-0.1856-0.9727-0.37360.12390.1184-0.27860.0870.21640.58040.15620.11980.71110.03330.4926-6.412371.4917.5368
331.3269-0.03210.39241.3090.14241.29060.0736-0.0187-0.2568-0.1065-0.09440.08690.2720.18440.01710.50530.17230.08980.5463-0.0810.4975-16.149951.422626.8307
343.8891-1.0386-0.68858.81173.22354.18780.15760.243-0.25560.1325-0.2758-0.9830.51460.70960.09250.47740.19560.06990.7801-0.00030.708310.215556.141734.4502
350.8690.86290.66811.9430.12681.07880.0745-0.0730.1446-0.0516-0.10420.00890.07770.11350.03530.430.1420.12590.5743-0.03460.4875-11.893765.400332.9243
363.9673-1.12151.03913.13570.21051.4454-0.0080.6323-0.0715-0.2832-0.0836-0.38330.00840.47860.0710.4950.12650.16290.6291-0.01870.4186-3.183666.809424.8197
374.89910.0898-0.43632.90342.30433.6892-0.27080.9485-1.2329-0.17690.1478-0.26220.05970.37810.01861.04810.128-0.0930.5744-0.2940.966-42.031328.2119-5.6019
385.61480.75550.92512.35210.36822.5176-0.1122-0.1896-1.13970.18730.08930.17170.618-0.1951-0.02730.91930.04160.01790.4895-0.06830.6867-47.99834.463712.6745
391.8274-0.9171.94495.0652-1.90592.3323-0.1243-0.33450.13860.32030.12050.2833-0.2002-0.5540.03690.73530.02370.03780.53-0.070.6051-49.755546.458211.3269
402.71620.1274-0.44430.24140.14042.9456-0.01550.2716-0.1783-0.217-0.02380.25610.31860.03440.02710.80370.13880.00530.4722-0.14350.6057-34.046743.95048.4115
413.4805-1.2781-0.51190.787-0.25410.6779-0.11310.1592-0.2471-0.16360.02990.06250.2052-0.06810.05350.79110.0967-0.08160.4766-0.1970.5986-44.835847.88592.329
425.3015-0.2343-1.32715.79691.1072.0771-0.27610.6991-0.9385-0.43830.2640.71930.55510.0173-0.11330.7698-0.0868-0.17380.6297-0.11770.8031-63.634545.87-0.658
431.3252-0.1454-1.62563.61070.85662.11990.34240.6097-0.4681-0.8826-0.2168-0.12560.3636-0.1937-0.17391.08170.1339-0.11060.6972-0.19970.5845-44.697746.0949-8.2657
443.58991.39991.30581.1608-0.19691.9379-0.07630.2422-0.8752-0.0350.23660.27130.2569-0.0434-0.12991.0210.0411-0.08160.5189-0.21410.9183-43.787727.712.6768
453.2832-0.7563.89260.7785-1.21634.74120.18270.5953-0.795-0.0840.2016-0.42420.05060.3109-0.48631.22130.0667-0.11570.698-0.20521.1122-51.35522.0395-1.0468
463.22811.9818-1.24433.5508-2.20162.017-0.07241.0848-0.4624-0.93790.19380.010.4586-0.2214-0.1051.07570.2103-0.13280.77-0.25940.662-40.554845.5695-16.8845
476.3883-0.9577-0.23050.24710.39561.2785-0.15540.1357-0.5426-0.50980.0669-0.32770.17250.47280.08050.73960.24040.2280.8568-0.04240.70781.792152.29310.5759
481.17931.50810.78845.0242-0.41281.2936-0.00730.3533-0.2431-0.37080.1582-0.4940.01920.4068-0.14820.64810.1720.1850.8068-0.08590.5767-7.640759.90562.6845
495.14540.9791.05950.5859-0.16482.9693-0.19950.3389-0.094-0.23260.0301-0.10930.36060.11370.17740.69060.0970.07450.5095-0.10820.4381-28.430254.655-1.0877
504.14092.6801-2.05186.95841.21692.2504-0.40440.83710.0512-0.78360.29750.6401-0.062-0.06370.07921.0250.1067-0.18590.9356-0.03830.4403-64.669274.5343-22.3258
511.92140.051-0.39562.1548-0.11290.10020.10610.03060.0042-0.2905-0.2068-0.14070.02650.11820.09310.57250.0421-0.05650.5940.05530.2771-49.7983.3970.3295
523.76450.83522.47152.5299-1.00599.2196-0.0550.90780.3463-0.6125-0.0297-0.0714-0.35290.76240.08150.86060.06520.0540.63750.1020.3578-50.473298.4346-16.0631
531.68780.49690.29840.97791.17871.69530.02290.22480.3943-0.5364-0.0706-0.096-0.23140.13080.01530.69370.00320.00640.60.09510.3079-48.9836100.842-4.0036
545.25111.6336-3.10554.0111-2.2352.33320.34751.32320.3108-0.71330.3890.7534-0.7014-1.1815-0.74270.91460.0317-0.21860.8130.02040.6131-72.618988.5841-17.5276
551.93670.2417-0.03822.2955-0.00810.77060.1085-0.0371-0.1137-0.2904-0.07810.1340.0338-0.0344-0.03430.52210.0446-0.04770.50460.04580.2614-59.072783.64622.3854
565.1359-0.08151.71563.36440.80091.47860.32670.83-0.687-0.4540.16740.00440.1060.1167-0.44540.82620.1346-0.08340.7382-0.05370.4048-63.265580.8789-16.2153
572.7701-0.55810.59821.799-0.30852.3012-0.05430.24640.515-0.2610.0862-0.4998-0.5490.3326-0.04640.7773-0.10.29040.66140.04550.6304-12.6472105.43353.4936
581.26120.18320.2581.0791-0.23931.8028-0.01050.47320.2677-0.3103-0.0142-0.3657-0.24880.5070.02010.6833-0.03670.27990.82630.11040.5998-7.436996.6579-0.633
593.5324-0.35680.9790.57030.19763.364-0.26170.562-0.2736-0.8938-0.0514-0.1477-0.1910.08190.34731.21780.0857-0.02720.91750.0440.3952-48.891182.2792-24.7412
602.90021.2342-0.81413.616-1.12111.4411-0.09970.6108-0.3156-0.6320.0371-0.16180.17040.27180.01750.890.12270.04040.8422-0.02450.3456-36.728875.1462-18.1993
615.833-0.33220.74322.73461.8681.53390.0991-0.0051-0.1714-0.33690.0877-0.1243-0.13940.2278-0.17590.64120.07020.13120.670.05150.3353-21.471381.7649-3.6717
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 2 through 28 )
2X-RAY DIFFRACTION2chain 'A' and (resid 29 through 194 )
3X-RAY DIFFRACTION3chain 'A' and (resid 195 through 216 )
4X-RAY DIFFRACTION4chain 'A' and (resid 217 through 368 )
5X-RAY DIFFRACTION5chain 'A' and (resid 369 through 393 )
6X-RAY DIFFRACTION6chain 'B' and (resid 1 through 80 )
7X-RAY DIFFRACTION7chain 'B' and (resid 81 through 282 )
8X-RAY DIFFRACTION8chain 'C' and (resid 2 through 60 )
9X-RAY DIFFRACTION9chain 'C' and (resid 61 through 170 )
10X-RAY DIFFRACTION10chain 'C' and (resid 171 through 241 )
11X-RAY DIFFRACTION11chain 'D' and (resid 2 through 33 )
12X-RAY DIFFRACTION12chain 'D' and (resid 34 through 195 )
13X-RAY DIFFRACTION13chain 'D' and (resid 196 through 215 )
14X-RAY DIFFRACTION14chain 'D' and (resid 216 through 249 )
15X-RAY DIFFRACTION15chain 'D' and (resid 250 through 343 )
16X-RAY DIFFRACTION16chain 'D' and (resid 344 through 393 )
17X-RAY DIFFRACTION17chain 'E' and (resid 1 through 28 )
18X-RAY DIFFRACTION18chain 'E' and (resid 29 through 80 )
19X-RAY DIFFRACTION19chain 'E' and (resid 81 through 96 )
20X-RAY DIFFRACTION20chain 'E' and (resid 97 through 114 )
21X-RAY DIFFRACTION21chain 'E' and (resid 115 through 139 )
22X-RAY DIFFRACTION22chain 'E' and (resid 140 through 164 )
23X-RAY DIFFRACTION23chain 'E' and (resid 165 through 181 )
24X-RAY DIFFRACTION24chain 'E' and (resid 182 through 194 )
25X-RAY DIFFRACTION25chain 'E' and (resid 195 through 236 )
26X-RAY DIFFRACTION26chain 'E' and (resid 237 through 251 )
27X-RAY DIFFRACTION27chain 'E' and (resid 252 through 282 )
28X-RAY DIFFRACTION28chain 'F' and (resid 2 through 60 )
29X-RAY DIFFRACTION29chain 'F' and (resid 61 through 170 )
30X-RAY DIFFRACTION30chain 'F' and (resid 171 through 241 )
31X-RAY DIFFRACTION31chain 'G' and (resid 2 through 28 )
32X-RAY DIFFRACTION32chain 'G' and (resid 29 through 51 )
33X-RAY DIFFRACTION33chain 'G' and (resid 52 through 195 )
34X-RAY DIFFRACTION34chain 'G' and (resid 196 through 215 )
35X-RAY DIFFRACTION35chain 'G' and (resid 216 through 343 )
36X-RAY DIFFRACTION36chain 'G' and (resid 344 through 393 )
37X-RAY DIFFRACTION37chain 'H' and (resid 1 through 15 )
38X-RAY DIFFRACTION38chain 'H' and (resid 16 through 51 )
39X-RAY DIFFRACTION39chain 'H' and (resid 52 through 80 )
40X-RAY DIFFRACTION40chain 'H' and (resid 81 through 114 )
41X-RAY DIFFRACTION41chain 'H' and (resid 115 through 154 )
42X-RAY DIFFRACTION42chain 'H' and (resid 155 through 184 )
43X-RAY DIFFRACTION43chain 'H' and (resid 185 through 205 )
44X-RAY DIFFRACTION44chain 'H' and (resid 206 through 236 )
45X-RAY DIFFRACTION45chain 'H' and (resid 237 through 251 )
46X-RAY DIFFRACTION46chain 'H' and (resid 252 through 282 )
47X-RAY DIFFRACTION47chain 'I' and (resid 2 through 60 )
48X-RAY DIFFRACTION48chain 'I' and (resid 61 through 156 )
49X-RAY DIFFRACTION49chain 'I' and (resid 157 through 241 )
50X-RAY DIFFRACTION50chain 'J' and (resid 2 through 28 )
51X-RAY DIFFRACTION51chain 'J' and (resid 29 through 112 )
52X-RAY DIFFRACTION52chain 'J' and (resid 113 through 145 )
53X-RAY DIFFRACTION53chain 'J' and (resid 146 through 195 )
54X-RAY DIFFRACTION54chain 'J' and (resid 196 through 215 )
55X-RAY DIFFRACTION55chain 'J' and (resid 216 through 368 )
56X-RAY DIFFRACTION56chain 'J' and (resid 369 through 393 )
57X-RAY DIFFRACTION57chain 'K' and (resid 1 through 80 )
58X-RAY DIFFRACTION58chain 'K' and (resid 81 through 282 )
59X-RAY DIFFRACTION59chain 'L' and (resid 2 through 60 )
60X-RAY DIFFRACTION60chain 'L' and (resid 61 through 170 )
61X-RAY DIFFRACTION61chain 'L' and (resid 171 through 241 )

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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