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- PDB-8q5v: 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: 8q5v
タイトルMgADP-bound Fe protein of the molybdenum nitrogenase from Methanothermococcus thermolithotrophicus
要素Nitrogenase iron protein 1
キーワードELECTRON TRANSPORT (電子伝達系) / nitrogenase (ニトロゲナーゼ) / electron donor / ATPase (ATPアーゼ) / [4Fe-4S]-cluster / electron transfer (電子移動反応) / conformational changes / methanogenic archaea (メタン菌) / thermophile (好熱菌) / oxidoreductase (酸化還元酵素) / O2-sensitivity / ADP (アデノシン二リン酸) / N2-fixation
機能・相同性
機能・相同性情報


ニトロゲナーゼ / carbonyl sulfide nitrogenase activity / nitrogenase activity / 窒素固定 / 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 / 鉄・硫黄クラスター / Nitrogenase iron protein 1
類似検索 - 構成要素
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: 2.74 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

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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 1
B: Nitrogenase iron protein 1
C: Nitrogenase iron protein 1
D: Nitrogenase iron protein 1
E: Nitrogenase iron protein 1
F: Nitrogenase iron protein 1
G: Nitrogenase iron protein 1
H: Nitrogenase iron protein 1
J: Nitrogenase iron protein 1
K: Nitrogenase iron protein 1
L: Nitrogenase iron protein 1
M: Nitrogenase iron protein 1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)384,12565
ポリマ-375,26212
非ポリマー8,86353
41423
1
A: Nitrogenase iron protein 1
B: Nitrogenase iron protein 1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)63,8908
ポリマ-62,5442
非ポリマー1,3476
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area5010 Å2
ΔGint-76 kcal/mol
Surface area20840 Å2
2
C: Nitrogenase iron protein 1
D: Nitrogenase iron protein 1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)63,9269
ポリマ-62,5442
非ポリマー1,3827
0
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area4970 Å2
ΔGint-87 kcal/mol
Surface area21500 Å2
3
E: Nitrogenase iron protein 1
F: Nitrogenase iron protein 1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)64,27014
ポリマ-62,5442
非ポリマー1,72612
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area5880 Å2
ΔGint-90 kcal/mol
Surface area20990 Å2
4
G: Nitrogenase iron protein 1
H: Nitrogenase iron protein 1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)63,8238
ポリマ-62,5442
非ポリマー1,2796
181
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area4830 Å2
ΔGint-81 kcal/mol
Surface area21220 Å2
5
J: Nitrogenase iron protein 1
K: Nitrogenase iron protein 1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)64,26616
ポリマ-62,5442
非ポリマー1,72214
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area5990 Å2
ΔGint-91 kcal/mol
Surface area21110 Å2
6
L: Nitrogenase iron protein 1
M: Nitrogenase iron protein 1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)63,95010
ポリマ-62,5442
非ポリマー1,4078
181
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area5150 Å2
ΔGint-95 kcal/mol
Surface area20920 Å2
単位格子
Length a, b, c (Å)61.478, 87.594, 182.048
Angle α, β, γ (deg.)93.98, 98.58, 109.65
Int Tables number1
Space group name H-MP1

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要素

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タンパク質 , 1種, 12分子 ABCDEFGHJKLM

#1: タンパク質
Nitrogenase iron protein 1


分子量: 31271.863 Da / 分子数: 12 / 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: / / : SN-1 / 組織: / / 参照: UniProt: P25767

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非ポリマー , 7種, 76分子

#2: 化合物
ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE / ADP / アデノシン二リン酸


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: 18 / 由来タイプ: 合成 / : Mg / タイプ: SUBJECT OF INVESTIGATION
#4: 化合物
ChemComp-SF4 / IRON/SULFUR CLUSTER / 鉄・硫黄クラスター


分子量: 351.640 Da / 分子数: 6 / 由来タイプ: 合成 / : Fe4S4 / タイプ: SUBJECT OF INVESTIGATION
#5: 化合物
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / グリセロ-ル / グリセリン


分子量: 92.094 Da / 分子数: 8 / 由来タイプ: 合成 / : C3H8O3
#6: 化合物
ChemComp-CL / CHLORIDE ION / クロリド / 塩化物


分子量: 35.453 Da / 分子数: 4 / 由来タイプ: 合成 / : Cl
#7: 化合物
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / エチレングリコ-ル / エチレングリコール


分子量: 62.068 Da / 分子数: 5 / 由来タイプ: 合成 / : C2H6O2
#8: 水 ChemComp-HOH / water /


分子量: 18.015 Da / 分子数: 23 / 由来タイプ: 天然 / : H2O

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詳細

研究の焦点であるリガンドがあるかY

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実験情報

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実験

実験手法: X線回折 / 使用した結晶の数: 1

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試料調製

結晶マシュー密度: 2.48 Å3/Da / 溶媒含有率: 50.53 % / 解説: Large brown plate
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 32.7 mg/ml with 10 mM ATP and 10 mM MgCl2 by spotting 0.5 ul of crystallisation solution with 0.5 ul of protein sample. ...詳細: The purified protein was crystallised at a final concentration of 32.7 mg/ml with 10 mM ATP and 10 mM MgCl2 by spotting 0.5 ul of crystallisation solution with 0.5 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 8000, 100 mM Tris pH 8.5 and 200 mM magnesium chloride. The crystals were soaked in the crystallisation solution supplemented with 30% glycerol prior 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: X06DA / 波長: 1.00004 Å
検出器タイプ: DECTRIS PILATUS 2M-F / 検出器: PIXEL / 日付: 2020年1月28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: 1.00004 Å / 相対比: 1
反射解像度: 2.74→71 Å / Num. obs: 66142 / % possible obs: 90.5 % / 冗長度: 6.7 % / CC1/2: 0.983 / Rmerge(I) obs: 0.284 / Rpim(I) all: 0.117 / Rrim(I) all: 0.307 / Net I/σ(I): 4.5
反射 シェル解像度: 2.74→2.9 Å / 冗長度: 6.7 % / Rmerge(I) obs: 1.224 / Mean I/σ(I) obs: 1.6 / Num. unique obs: 3154 / CC1/2: 0.526 / Rpim(I) all: 0.509 / Rrim(I) all: 1.358 / % possible all: 63.1

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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
PHASER位相決定
精密化構造決定の手法: 分子置換 / 解像度: 2.74→39.93 Å / SU ML: 0.33 / 交差検証法: FREE R-VALUE / σ(F): 1.96 / 位相誤差: 28.19 / 立体化学のターゲット値: ML
詳細: Translation-libration screw was used during refinement.
Rfactor反射数%反射
Rfree0.2543 3242 4.9 %
Rwork0.2172 --
obs0.219 66105 72.08 %
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: 60.62 Å2
精密化ステップサイクル: LAST / 解像度: 2.74→39.93 Å
タンパク質核酸リガンド溶媒全体
原子数25495 0 462 23 25980
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.00926347
X-RAY DIFFRACTIONf_angle_d1.23935587
X-RAY DIFFRACTIONf_dihedral_angle_d15.8410039
X-RAY DIFFRACTIONf_chiral_restr0.0853975
X-RAY DIFFRACTIONf_plane_restr0.0044606
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.74-2.790.3973140.3328351X-RAY DIFFRACTION9
2.79-2.830.346350.2876756X-RAY DIFFRACTION20
2.83-2.880.3704560.28851199X-RAY DIFFRACTION32
2.88-2.920.3674970.28721609X-RAY DIFFRACTION42
2.92-2.980.36011090.28251763X-RAY DIFFRACTION48
2.98-3.040.32381210.27682127X-RAY DIFFRACTION56
3.04-3.10.28211170.26442291X-RAY DIFFRACTION61
3.1-3.160.30581330.27542385X-RAY DIFFRACTION63
3.16-3.240.32751310.26752710X-RAY DIFFRACTION70
3.24-3.320.28611190.26552693X-RAY DIFFRACTION72
3.32-3.410.25311450.25183064X-RAY DIFFRACTION79
3.41-3.510.32481170.25812554X-RAY DIFFRACTION67
3.51-3.620.3031670.23963385X-RAY DIFFRACTION89
3.62-3.750.26241310.25442643X-RAY DIFFRACTION71
3.75-3.90.27461480.2373276X-RAY DIFFRACTION86
3.9-4.080.28361890.21953613X-RAY DIFFRACTION95
4.08-4.290.2581900.20463755X-RAY DIFFRACTION100
4.29-4.560.22032290.18533785X-RAY DIFFRACTION100
4.56-4.910.22131830.17333810X-RAY DIFFRACTION100
4.91-5.410.22752210.18373744X-RAY DIFFRACTION100
5.41-6.190.21481890.20563815X-RAY DIFFRACTION100
6.19-7.790.21351970.20423759X-RAY DIFFRACTION100
7.79-39.930.20342040.17333776X-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)
14.234-3.58-3.56523.98991.98394.0981-0.2145-0.65350.45980.70580.1704-0.1692-0.6341-0.50340.07240.5820.1162-0.05410.6857-0.1280.183819.3759-0.635-69.8694
22.5106-1.88740.3442.95470.00360.8933-0.2072-0.5349-0.10140.52560.45270.3154-0.2217-0.6746-0.15810.33560.16290.08150.57730.04680.250314.2826-9.5853-77.3975
31.28590.5362-0.85041.4375-0.60091.3782-0.0158-0.1773-0.31680.26130.06530.03920.2565-0.21260.09280.0002-0.12740.05760.47470.19790.407415.5615-18.8604-89.0681
41.36570.5564-1.02221.2018-0.49734.1661-0.0891-0.4051-0.57020.22510.18010.46040.8469-0.3211-0.01340.4551-0.14110.01650.54420.22840.576112.0778-30.1847-80.3721
51.9461-0.84060.7412.64960.03562.1188-0.1502-0.6023-0.55930.4943-0.1639-0.29451.10290.21940.18570.71560.07660.07910.47650.23930.580335.7707-34.5271-64.8801
63.2227-1.13691.90964.3004-1.63145.2294-0.4038-0.92950.0270.7655-0.0318-0.69870.35080.37940.39060.48560.1014-0.03960.59350.15550.465136.4898-23.8362-63.6142
72.7410.1275-0.27353.6118-0.99073.5195-0.0359-0.0618-0.1937-0.1248-0.3199-0.91130.63180.60660.31120.33830.08220.08550.44490.19670.526242.4366-22.4179-81.0286
80.1426-0.18920.42481.267-0.39791.3044-0.2559-0.0122-0.45250.2757-0.2228-0.42510.60770.59520.38630.53360.19920.22030.54920.28890.901644.7963-27.6836-81.1559
92.82560.9167-1.10124.7087-0.81074.8909-0.10230.34050.3029-0.3578-0.1419-0.9326-0.84180.62440.23210.4271-0.0923-0.04050.68650.27630.649348.59127.2143-57.4442
103.11372.5627-0.22992.45480.45141.3989-0.05380.71621.0403-0.2202-0.05070.7453-1.2106-0.93750.08540.68640.2516-0.03620.76160.13290.593735.573132.448-57.5248
111.02050.3626-0.00123.6393-0.45031.6185-0.25510.89710.2367-0.9428-0.02770.0374-0.3923-0.36270.26460.5743-0.0211-0.10451.01830.21370.476237.883924.7752-66.1758
125.17910.1822-0.3442.4606-0.50821.6906-0.13630.1882-0.1026-0.1438-0.352-0.516-0.00350.15040.37790.18910.00480.00940.59290.22870.567147.58613.4541-48.4805
131.3744-0.7797-1.16162.3797-0.53873.15820.2611-0.02750.25140.3117-0.2918-0.3919-1.20130.2064-0.01260.8106-0.2705-0.21350.59690.32840.714749.025833.0681-45.5828
141.5373-0.4074-0.47551.6283-0.22182.933-0.24830.2786-0.1803-0.1688-0.1711-0.49620.04440.340.38870.25950.07780.10940.76460.2450.652849.91158.5718-42.4136
153.64040.2736-0.41761.3385-0.25422.3657-0.09220.7323-0.3903-0.2556-0.13960.10610.3578-0.02730.13860.1605-0.019-0.04030.67960.0020.38123.5513-0.3455-42.2346
162.95740.7252-0.69052.4318-1.27630.8825-0.16160.9845-0.3315-0.51980.198-0.18020.35-0.2407-0.02070.3273-0.2033-0.04450.88680.0430.413522.7477-2.0224-48.4338
173.2363-1.1087-0.30793.9868-1.70330.9352-0.12570.86420.1888-0.59310.19520.2715-0.1989-0.27310.01180.39220.0504-0.06150.95380.20750.374619.308816.3719-47.2816
181.6793-0.68211.00041.11040.05240.8609-0.03990.30560.6166-0.246-0.15580.1779-0.2945-0.07150.15010.14730.0832-0.02720.75730.33170.670619.61416.9819-34.3766
194.28651.26413.03973.5954-1.09327.74160.2065-0.2415-0.28320.2084-0.3875-0.33431.00780.57580.16430.87730.3031-0.20890.7162-0.12140.37649.7398-5.368816.8884
201.4522-0.3483-0.57420.3971-0.02640.3135-0.1323-0.65950.63470.2318-0.0615-0.1875-0.4824-0.11680.14331.10710.2469-0.48440.5809-0.2550.710113.86945.79417.5382
211.55020.67152.74094.52083.91716.613-0.39870.50940.5528-0.12560.2218-0.5315-0.67090.8980.1930.56380.1001-0.30550.7132-0.06130.696117.72295.00524.7213
223.38342.01552.04961.41690.69692.5055-0.16720.0323-0.15170.39880.2565-0.78340.12611.0958-0.12850.49510.1365-0.26090.6335-0.11010.571321.4481-6.41355.3454
233.8720.7171.61660.2933-0.03132.3284-0.1032-1.04040.050.7120.0998-0.2097-0.031-0.3251-0.010.79280.2831-0.13550.5909-0.01040.36214.6762-6.835412.8166
240.64491.0828-0.15211.9740.36082.4263-0.0148-0.15420.45570.1593-0.1990.4498-0.4716-0.73770.21061.12770.4205-0.10830.9716-0.4040.6794-7.61834.670315.3399
250.82520.81550.18241.07390.05951.8556-0.3779-0.43140.71290.67170.1653-0.0258-0.7814-0.61340.22321.00020.3831-0.25240.8189-0.33320.77531.11458.642515.652
263.57820.09391.57841.8885-0.78853.72810.0240.102-0.24730.008-0.05860.30910.25850.00410.00180.0810.047-0.01350.2724-0.03350.2687-12.0531-6.1384-14.9897
273.4896-0.9161.58293.449-0.22473.38540.05780.0719-0.44790.26490.17170.31380.5629-0.0205-0.21350.22370.0513-0.00870.2607-0.01090.2802-8.1412-14.0026-11.3481
284.6637-0.8180.42422.4731-0.07772.6211-0.2309-0.00870.5360.13210.0481-0.2203-0.1680.16040.17440.19380.021-0.03520.24450.07240.2516-2.16196.5727-14.9532
292.6541-0.7764-1.6448.5904-2.02866.536-0.1590.1995-0.0168-0.2824-0.0814-0.1761-0.5608-0.19070.18980.79320.3757-0.08760.5929-0.17650.421615.0392-29.5558-22.0047
301.1504-0.0101-1.63243.1131.0542.67630.0730.0368-0.48960.04470.126-0.82530.33181.0136-0.15950.55260.3071-0.00350.7885-0.08980.721626.3121-26.791-15.4653
311.91990.5553-0.57632.3670.77670.9197-0.05490.3185-0.36960.18680.0287-0.22030.6488-0.010.03370.87970.24550.02860.4368-0.16570.370611.7009-34.7731-16.8656
321.7776-0.8217-1.34312.1768-0.39361.5859-0.4449-0.2156-0.34910.27580.0452-0.17911.04630.23750.38381.58360.2451-0.13680.5778-0.18580.900416.7127-49.6322-17.7516
330.60391.2386-0.26585.89252.73883.3323-0.09370.1976-0.6782-0.1440.2481-1.10691.30441.227-0.13481.12120.38480.10960.8813-0.25760.949728.5697-45.0351-24.7717
341.09070.71850.52365.3317-0.68181.8732-0.12730.098-0.34220.4087-0.01620.35781.41-0.24560.17061.3116-0.0596-0.00220.8926-0.17750.53632.4695-46.9496-15.795
352.3733-1.115-2.00462.63180.68387.89440.0443-0.33630.18540.58460.0688-0.0085-1.0212-0.546-0.11211.44620.2534-0.05560.59510.14630.540110.2493-33.958416.405
360.10820.1533-0.06331.3093-1.45851.75920.1171-0.2269-0.33240.25580.1360.23620.2408-0.1976-0.25861.21340.19970.03420.48360.40090.97235.4654-45.240913.8849
371.26470.71460.09752.9838-3.11653.9083-0.0716-0.3268-0.25250.44620.48471.23820.103-0.5724-0.4561.01560.19770.21370.49970.31520.9952-4-34.84597.8005
381.3790.34240.00111.5036-1.12382.18080.0333-0.3191-0.31030.66410.18720.0539-0.11490.0523-0.0531.24030.30530.05690.34980.10470.53710.3593-34.032912.8252
395.69970.54870.49896.2771-0.07652.00290.0991-0.01630.46650.444-0.3521-0.3968-0.17850.55210.24160.8290.1733-0.2070.48720.04120.58822.4692-30.86647.1348
400.10980.3926-0.08486.25250.9950.4131-0.0271-0.0022-0.18390.2248-0.0826-0.4328-0.00730.35440.13631.15530.3845-0.22910.83110.37140.949626.301-43.052810.8803
411.09580.99940.67634.1617-0.43341.3786-0.1158-0.0242-0.2901-0.35140.08280.29210.2310.0060.04061.47320.3718-0.07950.52260.12381.401415.735-53.1719.5491
422.25780.1840.6692.8389-1.86692.350.0195-0.1361-0.6755-0.44560.11030.31140.6011-0.0627-0.12291.47080.1091-0.1450.56290.37811.010810.3213-54.856816.8061
433.887-0.91371.45565.4791-1.23620.6972-0.1565-0.0448-0.3470.4651-0.2141-0.47840.29711.24120.4061.02020.2491-0.26490.87310.17720.750130.6767-37.97728.6723
441.6038-1.5618-1.63871.51951.55813.2955-0.1022-0.35720.4292-0.0320.1598-0.2051-0.31280.6225-0.03540.0009-0.0845-0.08270.51740.04080.511452.89614.9194-106.3423
452.620.3387-0.82970.56880.53891.93380.0460.23420.4494-0.21830.21150.2057-0.5177-0.0376-0.1783-0.0936-0.00020.04440.23690.00490.346146.57426.9466-113.3743
461.14380.010.03080.754-0.30410.5726-0.07690.0615-0.451-0.08080.0562-0.07090.13750.24230.0170.03360.00730.09070.36280.01030.318954.9946-10.6015-110.4578
473.0576-0.8624-1.6233.4146-0.76466.58520.25080.42260.212-0.517-0.2951-0.4015-0.78210.69740.01330.5312-0.22430.19430.6751-0.19670.328366.43310.8759-142.2447
481.2078-1.11090.00761.9326-0.1350.1364-0.03670.7795-0.5635-0.3715-0.1291-0.06910.2802-0.02460.26210.59-0.2280.33660.6778-0.330.498871.1189-9.1034-139.4223
492.655-2.0474-0.4244.47724.37185.7089-0.2294-0.1221-0.22040.0288-0.1788-0.47920.40380.21430.33230.3466-0.10170.21350.5238-0.1610.688582.5548-0.6222-129.4676
501.4277-0.1747-0.12820.8120.11771.533-0.14390.678-0.3328-0.57560.0466-0.5603-0.00030.20690.11920.4273-0.17690.220.7002-0.0720.37869.56452.3398-136.1153
510.499-0.3704-0.30050.84060.44492.7819-0.00680.154-0.0383-0.2179-0.06170.1014-0.235-0.39210.09590.3809-0.15340.05150.6002-0.1890.174151.10131.9865-134.1602
520.94171.1784-0.08533.80780.71031.3054-0.01740.5356-0.1609-0.4825-0.05070.33870.1064-0.13980.03940.8989-0.0724-0.04660.9627-0.2830.349854.5425-2.6163-140.6645
531.8634-1.07150.37532.04590.0541.7121-0.01370.5548-0.5734-0.36780.0769-0.16820.6154-0.3073-0.06670.7313-0.22060.08990.8734-0.44130.722459.121-16.0301-139.5952
542.4906-0.31730.77151.21692.57316.3038-0.17690.831-0.7524-1.0970.09910.12230.6298-0.35920.06330.814-0.20330.0361.3283-0.58020.854262.8958-15.2849-147.5308
553.32430.97980.84912.0901-0.11820.5419-0.26520.7892-0.2251-0.37580.050.10730.2887-0.67830.20660.6161-0.1097-0.12511.2532-0.2150.522745.3438-2.1149-140.0834
563.589-3.07093.41094.8626-1.73757.4381-0.2505-0.3352-0.2314-0.09180.30180.1530.9202-0.8253-0.02480.4154-0.04180.04660.2462-0.07590.169871.798425.609-103.1974
571.28680.74131.72143.6820.83163.0935-0.0740.2161-0.02660.22870.0561-1.2294-0.531.0307-0.01540.3656-0.1398-0.05120.40460.04960.626184.218130.2977-106.3383
582.2513-0.39071.12523.6894-0.66834.7396-0.06750.1316-0.277-0.5331-0.0836-0.65840.66270.53030.11850.4018-0.00280.08090.23310.00060.534982.288617.29-113.2148
592.6009-0.83510.23950.2806-0.06641.1161-0.1479-0.21050.0926-0.08140.23650.0334-0.2396-0.0685-0.09330.4592-0.0748-0.06440.14240.04030.357969.105428.5871-108.8267
603.7283-0.94880.61068.2692-0.62675.9052-0.138-0.04890.3474-0.03630.70610.2232-0.46-0.3773-0.53110.3830.0614-0.04080.3605-0.00410.326366.131737.0847-106.7376
611.65681.1027-0.54890.8183-0.25210.32760.187-0.06150.8450.0185-0.03890.1149-0.6547-0.017-0.11961.15440.044-0.09820.3037-0.07680.665767.373846.3328-105.5999
623.3988-1.9893-1.22997.28041.28260.5176-0.0929-0.10380.35660.1097-0.0838-1.1575-0.75310.91340.13560.9009-0.3936-0.21220.670.07910.867491.146141.9022-106.6986
630.9334-1.2558-0.2781.7990.72771.6628-0.028-0.50930.59520.47260.0827-0.4474-0.92410.582-0.03331.0612-0.1924-0.13760.5206-0.10540.477979.1341.7856-97.8204
642.86621.6768-1.3154.72940.82341.2792-0.02290.12080.60870.01350.23540.5164-0.9602-0.5655-0.19250.66410.149-0.06980.4703-0.03160.445658.957542.7132-108.8451
654.36470.92083.19455.11311.68372.5438-0.05030.4487-0.4837-0.84530.27230.51181.2254-0.4951-0.25631.0985-0.2684-0.04230.58270.25270.635365.690631.1243-141.4654
660.4983-0.19620.10361.4781-1.11271.6668-0.15850.29280.2073-0.58890.37980.5516-0.0634-0.3614-0.26070.9952-0.3074-0.26630.35970.40610.704956.248234.5219-135.4996
670.8443-0.29010.21071.6214-1.22971.6109-0.29030.45760.3268-0.42660.0691-0.2572-0.02730.48770.2951.1149-0.28970.11090.49860.15350.51175.799939.955-135.7908
684.2496-0.72280.79892.7003-1.17861.3055-0.1136-0.5622-0.01760.24960.02080.35310.0229-0.2235-0.1154-0.0057-0.00510.05610.43260.06680.321313.3937-8.4928-84.6308
692.7321-0.86831.54262.4193-1.06012.6151-0.0752-0.39680.25410.44780.1851-0.5805-0.5802-0.0406-0.03120.20430.0378-0.01680.4719-0.02740.330822.77510.9205-81.4993
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'J' and (resid 106 through 119 )
2X-RAY DIFFRACTION2chain 'J' and (resid 120 through 162 )
3X-RAY DIFFRACTION3chain 'J' and (resid 163 through 256 )
4X-RAY DIFFRACTION4chain 'J' and (resid 257 through 279 )
5X-RAY DIFFRACTION5chain 'K' and (resid 7 through 95 )
6X-RAY DIFFRACTION6chain 'K' and (resid 96 through 162 )
7X-RAY DIFFRACTION7chain 'K' and (resid 163 through 230 )
8X-RAY DIFFRACTION8chain 'K' and (resid 231 through 281 )
9X-RAY DIFFRACTION9chain 'L' and (resid 5 through 47 )
10X-RAY DIFFRACTION10chain 'L' and (resid 48 through 65 )
11X-RAY DIFFRACTION11chain 'L' and (resid 66 through 144 )
12X-RAY DIFFRACTION12chain 'L' and (resid 145 through 211 )
13X-RAY DIFFRACTION13chain 'L' and (resid 212 through 256 )
14X-RAY DIFFRACTION14chain 'L' and (resid 257 through 280 )
15X-RAY DIFFRACTION15chain 'M' and (resid 6 through 79 )
16X-RAY DIFFRACTION16chain 'M' and (resid 80 through 140 )
17X-RAY DIFFRACTION17chain 'M' and (resid 141 through 199 )
18X-RAY DIFFRACTION18chain 'M' and (resid 200 through 280 )
19X-RAY DIFFRACTION19chain 'A' and (resid 3 through 22 )
20X-RAY DIFFRACTION20chain 'A' and (resid 23 through 47 )
21X-RAY DIFFRACTION21chain 'A' and (resid 48 through 65 )
22X-RAY DIFFRACTION22chain 'A' and (resid 66 through 119 )
23X-RAY DIFFRACTION23chain 'A' and (resid 120 through 183 )
24X-RAY DIFFRACTION24chain 'A' and (resid 184 through 211 )
25X-RAY DIFFRACTION25chain 'A' and (resid 212 through 278 )
26X-RAY DIFFRACTION26chain 'B' and (resid 2 through 65 )
27X-RAY DIFFRACTION27chain 'B' and (resid 66 through 162 )
28X-RAY DIFFRACTION28chain 'B' and (resid 163 through 280 )
29X-RAY DIFFRACTION29chain 'C' and (resid 2 through 22 )
30X-RAY DIFFRACTION30chain 'C' and (resid 23 through 119 )
31X-RAY DIFFRACTION31chain 'C' and (resid 120 through 199 )
32X-RAY DIFFRACTION32chain 'C' and (resid 200 through 230 )
33X-RAY DIFFRACTION33chain 'C' and (resid 231 through 256 )
34X-RAY DIFFRACTION34chain 'C' and (resid 257 through 280 )
35X-RAY DIFFRACTION35chain 'D' and (resid 2 through 22 )
36X-RAY DIFFRACTION36chain 'D' and (resid 23 through 57 )
37X-RAY DIFFRACTION37chain 'D' and (resid 58 through 119 )
38X-RAY DIFFRACTION38chain 'D' and (resid 120 through 162 )
39X-RAY DIFFRACTION39chain 'D' and (resid 163 through 183 )
40X-RAY DIFFRACTION40chain 'D' and (resid 184 through 211 )
41X-RAY DIFFRACTION41chain 'D' and (resid 212 through 230 )
42X-RAY DIFFRACTION42chain 'D' and (resid 231 through 256 )
43X-RAY DIFFRACTION43chain 'D' and (resid 257 through 280 )
44X-RAY DIFFRACTION44chain 'E' and (resid 2 through 22 )
45X-RAY DIFFRACTION45chain 'E' and (resid 23 through 162 )
46X-RAY DIFFRACTION46chain 'E' and (resid 163 through 279 )
47X-RAY DIFFRACTION47chain 'F' and (resid 4 through 22 )
48X-RAY DIFFRACTION48chain 'F' and (resid 23 through 57 )
49X-RAY DIFFRACTION49chain 'F' and (resid 58 through 86 )
50X-RAY DIFFRACTION50chain 'F' and (resid 87 through 162 )
51X-RAY DIFFRACTION51chain 'F' and (resid 163 through 178 )
52X-RAY DIFFRACTION52chain 'F' and (resid 179 through 199 )
53X-RAY DIFFRACTION53chain 'F' and (resid 200 through 242 )
54X-RAY DIFFRACTION54chain 'F' and (resid 243 through 256 )
55X-RAY DIFFRACTION55chain 'F' and (resid 257 through 280 )
56X-RAY DIFFRACTION56chain 'G' and (resid 2 through 22 )
57X-RAY DIFFRACTION57chain 'G' and (resid 23 through 65 )
58X-RAY DIFFRACTION58chain 'G' and (resid 66 through 119 )
59X-RAY DIFFRACTION59chain 'G' and (resid 120 through 178 )
60X-RAY DIFFRACTION60chain 'G' and (resid 179 through 199 )
61X-RAY DIFFRACTION61chain 'G' and (resid 200 through 222 )
62X-RAY DIFFRACTION62chain 'G' and (resid 223 through 242 )
63X-RAY DIFFRACTION63chain 'G' and (resid 243 through 256 )
64X-RAY DIFFRACTION64chain 'G' and (resid 257 through 280 )
65X-RAY DIFFRACTION65chain 'H' and (resid 2 through 22 )
66X-RAY DIFFRACTION66chain 'H' and (resid 23 through 140 )
67X-RAY DIFFRACTION67chain 'H' and (resid 141 through 280 )
68X-RAY DIFFRACTION68chain 'J' and (resid 4 through 36 )
69X-RAY DIFFRACTION69chain 'J' and (resid 37 through 105 )

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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