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- PDB-8rvr: Crystal structure of Trypanosoma congolense pyruvate kinase in co... -

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基本情報

登録情報
データベース: PDB / ID: 8rvr
タイトルCrystal structure of Trypanosoma congolense pyruvate kinase in complex with a single-domain antibody (TcoPYK-sdAb42) in the presence of sulfate
要素
  • Camelid single-domain antibody 42 (sdAb42)
  • Pyruvate kinase
キーワードTRANSFERASE / pyruvate kinase / camelid single-domain antibody
機能・相同性
機能・相同性情報


pyruvate kinase / pyruvate kinase activity / potassium ion binding / kinase activity / magnesium ion binding / ATP binding
類似検索 - 分子機能
Pyruvate kinase / Pyruvate kinase, barrel / Pyruvate kinase, insert domain superfamily / Pyruvate kinase, barrel domain / Pyruvate kinase, C-terminal / Pyruvate kinase, C-terminal domain superfamily / Pyruvate kinase, alpha/beta domain / Pyruvate kinase-like, insert domain superfamily / Pyruvate kinase-like domain superfamily / Pyruvate/Phosphoenolpyruvate kinase-like domain superfamily
類似検索 - ドメイン・相同性
GLUTAMIC ACID / Pyruvate kinase
類似検索 - 構成要素
生物種Trypanosoma congolense (トリパノソーマ)
Vicugna pacos (アルパカ)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 3.19 Å
データ登録者Sterckx, Y.G.-J.
資金援助 ベルギー, 3件
組織認可番号
Ghent University Special Research Fund (BOF)BOF.STG.2018.0009.01/01N01518 ベルギー
Research Foundation - Flanders (FWO)G013518N ベルギー
Research Foundation - Flanders (FWO)1137622N ベルギー
引用ジャーナル: Elife / : 2025
タイトル: Allosteric inhibition of trypanosomatid pyruvate kinases by a camelid single-domain antibody.
著者: Pinto Torres, J.E. / Claes, M. / Hendrickx, R. / Yuan, M. / Smiejkowska, N. / Van Wielendaele, P. / Hacisuleyman, A. / De Winter, H. / Muyldermans, S. / Michels, P.A.M. / Walkinshaw, M.D. / ...著者: Pinto Torres, J.E. / Claes, M. / Hendrickx, R. / Yuan, M. / Smiejkowska, N. / Van Wielendaele, P. / Hacisuleyman, A. / De Winter, H. / Muyldermans, S. / Michels, P.A.M. / Walkinshaw, M.D. / Versees, W. / Caljon, G. / Magez, S. / Sterckx, Y.G.
履歴
登録2024年2月2日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02025年4月16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

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集合体

登録構造単位
A: Pyruvate kinase
B: Pyruvate kinase
C: Pyruvate kinase
D: Pyruvate kinase
E: Pyruvate kinase
F: Pyruvate kinase
G: Camelid single-domain antibody 42 (sdAb42)
H: Camelid single-domain antibody 42 (sdAb42)
I: Camelid single-domain antibody 42 (sdAb42)
J: Camelid single-domain antibody 42 (sdAb42)
K: Camelid single-domain antibody 42 (sdAb42)
L: Camelid single-domain antibody 42 (sdAb42)
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)439,11533
ポリマ-437,04712
非ポリマー2,06821
2,216123
1
A: Pyruvate kinase
G: Camelid single-domain antibody 42 (sdAb42)
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)73,0294
ポリマ-72,8412
非ポリマー1882
362
タイプ名称対称操作
identity operation1_555x,y,z1
2
B: Pyruvate kinase
H: Camelid single-domain antibody 42 (sdAb42)
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)73,3067
ポリマ-72,8412
非ポリマー4645
362
タイプ名称対称操作
identity operation1_555x,y,z1
3
C: Pyruvate kinase
I: Camelid single-domain antibody 42 (sdAb42)
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)73,4538
ポリマ-72,8412
非ポリマー6126
362
タイプ名称対称操作
identity operation1_555x,y,z1
4
D: Pyruvate kinase
J: Camelid single-domain antibody 42 (sdAb42)
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)73,3617
ポリマ-72,8412
非ポリマー5195
362
タイプ名称対称操作
identity operation1_555x,y,z1
5
E: Pyruvate kinase
K: Camelid single-domain antibody 42 (sdAb42)
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)73,0294
ポリマ-72,8412
非ポリマー1882
362
タイプ名称対称操作
identity operation1_555x,y,z1
6
F: Pyruvate kinase
L: Camelid single-domain antibody 42 (sdAb42)
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)72,9373
ポリマ-72,8412
非ポリマー961
362
タイプ名称対称操作
identity operation1_555x,y,z1
単位格子
Length a, b, c (Å)167.520, 168.420, 177.130
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number18
Space group name H-MP21212

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要素

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タンパク質 / 抗体 , 2種, 12分子 ABCDEFGHIJKL

#1: タンパク質
Pyruvate kinase


分子量: 56424.305 Da / 分子数: 6 / 由来タイプ: 組換発現
由来: (組換発現) Trypanosoma congolense (トリパノソーマ)
遺伝子: TCIL3000_10_12020 / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: G0UYF4, pyruvate kinase
#2: 抗体
Camelid single-domain antibody 42 (sdAb42)


分子量: 16416.826 Da / 分子数: 6 / 由来タイプ: 組換発現 / 由来: (組換発現) Vicugna pacos (アルパカ) / 発現宿主: Escherichia coli (大腸菌)

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非ポリマー , 4種, 144分子

#3: 化合物
ChemComp-SO4 / SULFATE ION / 硫酸ジアニオン


分子量: 96.063 Da / 分子数: 6 / 由来タイプ: 合成 / : SO4
#4: 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: 13 / 由来タイプ: 合成 / : C3H8O3
#5: 化合物 ChemComp-GLU / GLUTAMIC ACID / グルタミン酸


タイプ: L-peptide linking / 分子量: 147.129 Da / 分子数: 2 / 由来タイプ: 合成 / : C5H9NO4
#6: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 123 / 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N
Has protein modificationY

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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: 2.86 Å3/Da / 溶媒含有率: 56.97 %
結晶化温度: 293 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 7.5
詳細: 100 mM Bis-Tris propane pH 7.5, 200 mM sodium sulfate, 20% PEG 3350

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データ収集

回折平均測定温度: 80 K / Serial crystal experiment: N
放射光源由来: シンクロトロン / サイト: SOLEIL / ビームライン: PROXIMA 2 / 波長: 0.9801 Å
検出器タイプ: DECTRIS EIGER X 9M / 検出器: PIXEL / 日付: 2020年6月5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: 0.9801 Å / 相対比: 1
反射解像度: 3.19→49.32 Å / Num. obs: 83505 / % possible obs: 99.8 % / 冗長度: 13.8 % / CC1/2: 0.995 / Rrim(I) all: 0.327 / Net I/σ(I): 9.39
反射 シェル解像度: 3.19→3.31 Å / Num. unique obs: 13176 / CC1/2: 0.646

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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
XDSデータ削減
XSCALE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: 3.19→49.32 Å / SU ML: 0.51 / 交差検証法: FREE R-VALUE / σ(F): 1.34 / 位相誤差: 30.91 / 立体化学のターゲット値: ML
Rfactor反射数%反射
Rfree0.2747 4168 5 %
Rwork0.2207 --
obs0.2234 83419 99.7 %
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
精密化ステップサイクル: LAST / 解像度: 3.19→49.32 Å
タンパク質核酸リガンド溶媒全体
原子数25741 0 118 123 25982
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.01126284
X-RAY DIFFRACTIONf_angle_d1.36135710
X-RAY DIFFRACTIONf_dihedral_angle_d6.8153768
X-RAY DIFFRACTIONf_chiral_restr0.0734147
X-RAY DIFFRACTIONf_plane_restr0.0124675
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.19-3.230.39731280.38452450X-RAY DIFFRACTION94
3.23-3.270.37631370.3542614X-RAY DIFFRACTION100
3.27-3.310.38071380.35012612X-RAY DIFFRACTION100
3.31-3.350.40361390.33152635X-RAY DIFFRACTION100
3.35-3.390.41481370.34292597X-RAY DIFFRACTION100
3.39-3.440.39731380.32152647X-RAY DIFFRACTION100
3.44-3.490.34561380.30132611X-RAY DIFFRACTION100
3.49-3.540.31161360.27272600X-RAY DIFFRACTION100
3.54-3.60.32661370.26152625X-RAY DIFFRACTION100
3.6-3.660.25431380.24362622X-RAY DIFFRACTION100
3.66-3.720.28971380.24412618X-RAY DIFFRACTION100
3.72-3.790.2981370.22832618X-RAY DIFFRACTION100
3.79-3.860.30511380.23082608X-RAY DIFFRACTION100
3.86-3.940.30721400.23612661X-RAY DIFFRACTION100
3.94-4.020.32491390.23072634X-RAY DIFFRACTION100
4.02-4.120.29031380.22832622X-RAY DIFFRACTION100
4.12-4.220.27591400.19872659X-RAY DIFFRACTION100
4.22-4.330.26161370.1992610X-RAY DIFFRACTION100
4.33-4.460.27021390.18882633X-RAY DIFFRACTION100
4.46-4.610.25111370.1792630X-RAY DIFFRACTION100
4.61-4.770.2131410.17842662X-RAY DIFFRACTION100
4.77-4.960.23161380.18422651X-RAY DIFFRACTION100
4.96-5.190.25741390.19232643X-RAY DIFFRACTION100
5.19-5.460.22591400.20882654X-RAY DIFFRACTION100
5.46-5.80.29091420.21362689X-RAY DIFFRACTION100
5.8-6.250.29941400.21652671X-RAY DIFFRACTION100
6.25-6.870.25821410.21512677X-RAY DIFFRACTION100
6.88-7.870.24871430.19632704X-RAY DIFFRACTION100
7.87-9.90.21031450.15442756X-RAY DIFFRACTION100
9.9-49.320.24521500.22362838X-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)
11.39820.34-0.49434.1345-0.7590.7005-0.1286-0.4147-0.07170.49620.03240.1782-0.0233-0.25710.10890.6851-0.1235-0.01590.7280.0370.6393-53.91532.2256-51.4025
25.15730.9509-0.48022.9411-0.54225.25680.5222-2.0892-0.13981.9653-0.5858-1.1795-1.01271.61070.01251.8783-0.5306-0.35122.11210.11311.2268-26.91726.9105-32.6087
30.57550.17280.34170.26140.30592.16710.0051-0.1188-0.18530.1308-0.1029-0.14210.16940.12290.07920.6477-0.05120.01580.58760.05960.7579-44.48732.3844-60.9766
44.8064-0.5515-1.16563.9733-4.61777.97140.04080.5138-0.5363-0.40950.24470.47481.2271-0.6077-0.21640.7131-0.2236-0.00580.7282-0.02760.6801-62.218428.0379-74.602
51.83971.37651.67881.56650.57231.3596-0.05880.2089-0.05850.06140.2626-0.3998-0.24440.3419-0.1690.6847-0.14330.00170.783-0.06250.8769-25.400854.4548-58.1179
61.805-0.4321.30785.02561.90463.3735-0.8294-0.20790.61630.93350.50820.0791-0.55690.75410.38290.9527-0.1001-0.20230.8482-0.04240.9392-25.544473.9881-47.4884
72.046-2.3450.34983.0026-0.11392.9929-0.10590.31661.03261.01280.1779-0.621-0.62-0.20090.03121.0516-0.1823-0.06610.7066-0.2090.8708-36.04479.3632-50.7438
80.7522-0.0164-0.75581.2224-0.13482.07220.0372-0.10970.23120.017-0.0914-0.1365-0.49650.23310.06120.6902-0.1374-0.06940.4550.00310.8255-37.425962.7743-61.403
91.25010.3721-1.03050.76060.73592.5288-0.08940.30670.1544-0.0370.1355-0.1457-0.1723-0.0197-0.05270.8077-0.2627-0.05410.75180.01860.9108-23.978267.6175-70.6214
102.0248-0.66081.38010.3878-0.03832.9139-0.32150.2761-0.107-0.16780.3758-0.6555-1.09940.76650.12531.1798-0.4448-0.07221.20490.06591.0575-10.978573.7364-73.4427
119.9462-2.16370.08895.55332.50076.18080.839-0.25130.5811-1.03310.0339-0.8127-0.67460.5426-0.7051.0697-0.38390.07970.8685-0.23720.8414-16.133665.8114-80.8514
123.23320.69460.47382.31270.68491.46380.03930.778-0.1922-0.146-0.13340.17490.3336-0.02040.02210.7461-0.18190.06290.7513-0.05150.5987-52.174830.974-122.1488
131.09910.4844-0.57764.4767-0.93024.8881-0.41740.60210.4276-0.8330.1748-0.8638-1.71670.11140.27271.5705-0.39910.06931.21220.02291.0087-60.769255.6905-142.2886
144.87473.1853-1.81087.1397-3.42824.0488-0.3107-0.3664-0.2188-0.2255-0.4255-1.5049-0.34580.46680.44380.7998-0.0022-0.03260.98480.2051.1825-64.313550.339-133.3663
151.64860.1037-0.2230.867-0.12151.70290.00180.28870.1944-0.07290.07330.0610.0291-0.2454-0.06310.5586-0.0958-0.03980.6263-0.03290.7161-52.908842.7596-114.0061
163.79710.37053.55335.1442-0.84796.86630.1022-0.2668-0.41470.1292-0.0980.36580.9513-1.252-0.00080.6102-0.21620.07670.7137-0.08390.6203-59.473125.769-101.5483
171.99982.00022.00012.00024.00841.9999-3.9994-3.5675-8.70146.7907-3.67381.367310.97340.84737.68051.5808-0.1511-0.31890.44150.23420.9331-48.28999.5088-96.6841
181.86730.4296-0.28533.0644-0.00951.25890.21170.17090.4459-0.3940.0014-0.6562-0.72570.9865-0.16690.8463-0.33910.02441.13310.11810.7631-22.105459.7813-124.0746
193.00150.73240.11964.59941.98490.93910.32040.3003-0.2562-0.9247-0.2435-0.4673-0.39620.6732-0.01070.91770.01630.26421.44630.07551.0153-12.229934.4904-136.7869
201.36640.49950.58851.530.53232.1332-0.02790.23040.11090.0348-0.0237-0.2523-0.40240.8510.0490.5981-0.23830.0410.76990.03860.7143-23.554553.6987-111.6432
215.3204-0.7070.22853.84982.08262.66641.2620.26631.92410.33510.1645-0.4958-1.22991.5257-1.45791.41-0.89130.00661.8470.30041.2599-15.351877.9038-101.8153
226.1555-1.5959-1.65232.33620.45119.0284-0.052-1.2310.63920.0920.5109-0.8601-1.01760.5719-0.20820.816-0.334-0.01460.74810.03350.9841-22.244771.4903-94.0016
231.999922.0001222-1.82091.7429-3.7393-9.55392.4878-8.06996.15740.6388-0.67981.1254-0.2-0.06090.2252-0.28371.3617-30.553786.3988-98.3427
241.05170.6013-1.21630.8696-1.56932.97790.7208-0.5678-0.08970.7411-0.8247-0.1502-0.14690.89750.111.4685-0.7487-0.27551.43460.12790.7766-58.016117.2058-14.9424
252.8678-0.2731-1.53522.691-1.89162.8580.24950.9020.41921.4457-0.7474-0.2110.3723-1.06820.4411.238-0.40190.06931.08910.14590.7511-60.441533.4361-28.4366
261.8471-0.3073-0.95292.0865-0.30533.07820.19430.18250.47110.19610.040.19-0.2256-0.4931-0.03941.3063-0.49930.20661.27610.02130.9898-75.500935.1084-18.3824
270.25070.16670.77030.94731.58522.13340.5726-0.17830.19680.8108-0.4715-0.00010.1723-0.1628-0.07571.513-0.74240.01761.49050.0650.7507-69.296416.9958-13.3123
282.52950.7088-0.90964.85020.36282.07130.30150.0530.1117-0.3532-0.2004-0.5883-0.389-0.1367-0.0511.082-0.56960.14761.36530.05660.8672-70.04859.2332-31.4992
295.9883-0.35853.38154.95841.28484.7162-0.62950.45450.891-0.74411.436-0.6639-0.08810.0881-0.60251.079-0.59650.07161.34250.28090.7897-78.80991.4186-29.6174
303.7701-0.28922.86962.05930.10512.2881-0.57080.01750.1777-0.0373-0.0819-0.97130.36431.49080.75711.61370.98860.12052.14290.21390.935-4.3062107.7106-6.1867
311.43240.9149-0.1992.4721-0.94733.27350.064-0.05180.1779-0.23030.02810.06290.7940.082-0.02911.24690.3762-0.08491.71680.09980.8434-32.0962102.9256-25.013
321.36860.98380.51420.781-0.16638.43450.3691-0.04910.252-1.3023-0.70990.52351.4842-0.2962-0.20981.58020.846-0.22851.50010.13491.1032-30.907295.272-9.7083
330.1602-1.0653-0.3391-0.1675-0.56360.32490.99930.11180.5498-0.7022-0.98570.29290.7580.8371-0.03081.94091.1701-0.10272.23780.06670.6542-15.496100.4701-14.26
341.64411.1461-0.99611.6058-0.67340.9551.03281.16690.5389-1.0622-0.94121.07760.69911.0183-0.24132.54121.5759-0.04692.52740.14720.2739-6.536996.2203-32.377
352.6996-1.66490.09526.32952.0852.75610.27290.34280.06140.4917-0.8710.59880.4987-0.58160.47750.65160.0090.10091.20090.11791.0745-80.855361.2278-45.5519
363.8194-0.2425-2.76664.8766-0.21584.3322-0.19850.60030.27660.18050.12520.32380.1281-0.34290.05390.5844-0.0799-0.02380.69550.04290.8218-71.094661.9869-52.1135
378.8961-3.867-3.02913.15023.84855.5857-0.6626-0.65450.65690.70850.90550.52840.74320.4582-0.11680.8635-0.0781-0.1210.82110.09990.9086-70.190161.0963-43.3655
384.1717-1.3752-0.05450.4423-0.23263.0829-0.423-0.59980.6051-0.28530.42090.00550.1659-0.4388-0.18860.8386-0.1037-0.08750.774-0.04561.1051-80.847869.355-49.0916
399.4226-4.98583.45614.8911-1.91754.6251-0.38641.52130.5687-0.85920.4893-0.6923-0.38840.1079-0.43140.76930.01-0.05270.9414-0.07270.8014-64.530361.3152-58.4424
405.80363.3322-0.80687.4196-4.87313.6813-0.1643-0.2851.0655-0.76490.35510.84690.41980.2902-0.31930.76420.01770.03170.9034-0.15470.9988-73.855957.3931-58.7913
411.1384-2.1560.28284.6713-1.93883.2961-0.09360.54640.6296-0.21270.01940.5179-0.1786-0.3623-0.27330.80910.63320.13480.20680.14151.3948-87.65869.4097-45.9707
423.37691.6618-1.17926.3688-0.0712.34320.3378-0.1177-0.5029-0.1452-0.9642-1.91850.06470.87780.35220.8039-0.0990.02881.64020.17751.1105-0.68934.9442-45.9159
434.7542-1.30092.51054.5822-0.19443.0697-0.2640.1533-0.2677-0.52080.1087-0.28110.16810.50930.2070.6925-0.03950.10561.09040.06340.966-10.632235.8378-52.3008
445.5463-3.5861-1.29648.94760.44064.69780.2625-0.74950.24110.07870.2693-0.75330.14190.3733-0.4430.7646-0.0533-0.02191.11820.02120.9477-11.012333.1146-43.8639
453.8778-0.87480.98624.2514-0.88075.26420.40040.6507-0.1453-0.7936-0.3742-0.40290.30961.03010.2390.71640.02660.10610.9809-0.09720.9916-5.78332.6902-53.7666
469.8905-3.8079-2.91051.72680.46012.52980.7879-0.72112.2137-0.8228-0.63671.5077-1.70480.45420.29011.7068-0.5277-0.0480.51610.23891.5412-43.663682.6991-128.5997
473.6914-0.4130.36392.4251-1.14942.807-0.3693-0.08910.5205-0.17840.05950.8023-0.5954-0.02910.2391.0698-0.0945-0.23040.82410.27111.353-53.267577.6555-126.9051
485.48552.09180.1847.1194-0.21828.7832-0.36430.72311.2639-0.60260.64421.1177-1.7759-0.5829-0.12060.9866-0.1398-0.24451.04050.34141.3486-52.265175.5244-134.4614
490.1093-0.08-0.23170.02880.11660.4717-0.02640.2838-0.0741-0.10650.09391.5719-0.81650.1819-0.1911.60930.0879-0.21970.85370.07412.1981-58.361384.8359-127.3453
508.9526-0.7013-0.28554.21524.21474.34180.27020.03591.32570.4650.41270.17330.3187-0.0775-0.75871.4526-0.0005-0.09050.73760.08121.1207-49.832775.7299-119.0587
511.4158-0.8356-0.27886.02320.0071.83350.33720.2296-0.4249-0.341-0.08680.954-0.2341-0.3010.02251.51680.2286-0.83030.210.05822.897-60.46792.4641-132.302
525.3573-3.6392-0.4885.01652.26463.4936-0.4772-0.8039-0.4341-0.34780.69280.15510.27040.1856-0.30631.02180.0332-0.19490.89890.04410.9561-24.01996.7951-127.025
532.611-0.03321.34886.71810.01312.7415-0.5655-0.4988-0.8147-0.24130.09022.0059-0.1659-0.13410.40040.6240.0387-0.00670.63010.00830.9467-33.864518.8653-123.8649
547.79931.8058-2.82592.17451.75098.38630.3137-0.3438-1.061.3928-0.6760.21521.71451.20080.20111.02110.1726-0.2390.9687-0.00780.9118-20.92188.3717-115.5791
553.6033-0.3934-0.97143.16940.91071.2317-0.2379-0.2932-0.50910.06820.2660.0761-0.09660.2302-0.03340.5851-0.0097-0.02140.77790.01560.9592-19.297415.4914-124.2973
568.78890.9871.51452.1099-0.55436.08360.1035-0.7396-0.54361.49010.49280.05130.5632-0.3677-0.62630.7358-0.01920.03651.02660.01870.8059-27.905518.5995-114.9805
574.8086-0.9313-2.95811.73091.58435.89540.19740.2957-0.5480.2685-0.4265-1.58650.17960.10930.28520.78150.0567-0.00790.41460.09371.3385-15.19290.1064-125.5758
582.68341.4032-3.6146.67680.75326.0329-1.0648-0.0316-1.3881-0.3175-0.18370.08611.1890.77810.77861.8102-0.12560.80631.6223-0.50921.873-35.40257.8218-20.0085
591.80690.1831-2.75447.86161.9354.8316-0.130.2368-0.09112.02120.0443-0.96671.50460.1471-0.10961.5772-0.1847-0.30292.2443-0.01391.3951-21.09774.4637-12.6647
604.3425-1.61954.20495.4270.32464.8294-0.12230.9262-0.8574-0.0048-0.60830.76831.02071.58840.7491.8888-0.6634-0.37991.52430.31881.254-48.407913.2178-18.3639
618.4143-4.2159-2.08274.17042.67524.1845-0.7390.0187-0.26570.18770.1635-0.26342.98580.7130.50942.32340.54420.16331.97030.18841.1062-36.7080.587-12.6368
622.8605-0.60050.60671.75750.95681.67640.0054-0.73720.36390.36840.1758-0.43820.75290.3702-0.09841.522-0.1508-0.27851.53110.04471.0886-33.82763.6646-8.6745
632.8637-2.35860.8822.3861-1.69882.39210.03810.901-2.44210.6293-0.3325-0.0061-2.34220.54050.22811.64890.0503-0.13581.5366-0.0161.6753-4.3552131.5181-21.4862
643.9065-0.731.01743.55290.63682.99690.15640.2876-0.5182-0.846-0.1539-1.0351-1.80691.0132-0.05171.5686-0.10710.16581.79720.20190.9996-0.6871133.6822-11.7001
654.19151.1078-2.26784.6082-0.59853.24180.00120.8855-0.0010.35171.0284-0.5262-1.685-1.3712-0.79671.98430.2048-0.18531.8844-0.19890.9646-1.3152141.2416-8.8787
662.37281.91861.78245.69083.19542.0307-0.3232-0.3798-0.3582-0.12470.6971-0.6942-0.71791.0605-0.66571.4482-0.00770.03512.03950.23431.27932.8553131.0861-13.362
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 2 through 98 )
2X-RAY DIFFRACTION2chain 'A' and (resid 99 through 183 )
3X-RAY DIFFRACTION3chain 'A' and (resid 184 through 404 )
4X-RAY DIFFRACTION4chain 'A' and (resid 405 through 500 )
5X-RAY DIFFRACTION5chain 'B' and (resid 2 through 44 )
6X-RAY DIFFRACTION6chain 'B' and (resid 45 through 75 )
7X-RAY DIFFRACTION7chain 'B' and (resid 76 through 204 )
8X-RAY DIFFRACTION8chain 'B' and (resid 205 through 392 )
9X-RAY DIFFRACTION9chain 'B' and (resid 393 through 442 )
10X-RAY DIFFRACTION10chain 'B' and (resid 443 through 467 )
11X-RAY DIFFRACTION11chain 'B' and (resid 468 through 501 )
12X-RAY DIFFRACTION12chain 'C' and (resid 2 through 75 )
13X-RAY DIFFRACTION13chain 'C' and (resid 76 through 166 )
14X-RAY DIFFRACTION14chain 'C' and (resid 167 through 204 )
15X-RAY DIFFRACTION15chain 'C' and (resid 205 through 404 )
16X-RAY DIFFRACTION16chain 'C' and (resid 405 through 499 )
17X-RAY DIFFRACTION18chain 'D' and (resid 2 through 99 )
18X-RAY DIFFRACTION19chain 'D' and (resid 100 through 204 )
19X-RAY DIFFRACTION20chain 'D' and (resid 205 through 442 )
20X-RAY DIFFRACTION21chain 'D' and (resid 443 through 468 )
21X-RAY DIFFRACTION22chain 'D' and (resid 469 through 499 )
22X-RAY DIFFRACTION24chain 'E' and (resid 2 through 44 )
23X-RAY DIFFRACTION25chain 'E' and (resid 45 through 75 )
24X-RAY DIFFRACTION26chain 'E' and (resid 76 through 274 )
25X-RAY DIFFRACTION27chain 'E' and (resid 275 through 425 )
26X-RAY DIFFRACTION28chain 'E' and (resid 426 through 480 )
27X-RAY DIFFRACTION29chain 'E' and (resid 481 through 500 )
28X-RAY DIFFRACTION30chain 'F' and (resid 2 through 22 )
29X-RAY DIFFRACTION31chain 'F' and (resid 23 through 248 )
30X-RAY DIFFRACTION32chain 'F' and (resid 249 through 273 )
31X-RAY DIFFRACTION33chain 'F' and (resid 274 through 425 )
32X-RAY DIFFRACTION34chain 'F' and (resid 426 through 499 )
33X-RAY DIFFRACTION35chain 'G' and (resid 1 through 17 )
34X-RAY DIFFRACTION36chain 'G' and (resid 18 through 73 )
35X-RAY DIFFRACTION37chain 'G' and (resid 74 through 89 )
36X-RAY DIFFRACTION38chain 'G' and (resid 90 through 104 )
37X-RAY DIFFRACTION39chain 'G' and (resid 105 through 113 )
38X-RAY DIFFRACTION40chain 'G' and (resid 114 through 123 )
39X-RAY DIFFRACTION41chain 'G' and (resid 124 through 130 )
40X-RAY DIFFRACTION42chain 'H' and (resid 1 through 17 )
41X-RAY DIFFRACTION43chain 'H' and (resid 18 through 70 )
42X-RAY DIFFRACTION44chain 'H' and (resid 71 through 89 )
43X-RAY DIFFRACTION45chain 'H' and (resid 90 through 130 )
44X-RAY DIFFRACTION46chain 'I' and (resid 1 through 9 )
45X-RAY DIFFRACTION47chain 'I' and (resid 10 through 73 )
46X-RAY DIFFRACTION48chain 'I' and (resid 74 through 90 )
47X-RAY DIFFRACTION49chain 'I' and (resid 91 through 105 )
48X-RAY DIFFRACTION50chain 'I' and (resid 106 through 123 )
49X-RAY DIFFRACTION51chain 'I' and (resid 124 through 130 )
50X-RAY DIFFRACTION52chain 'J' and (resid 1 through 17 )
51X-RAY DIFFRACTION53chain 'J' and (resid 18 through 39 )
52X-RAY DIFFRACTION54chain 'J' and (resid 40 through 51 )
53X-RAY DIFFRACTION55chain 'J' and (resid 52 through 104 )
54X-RAY DIFFRACTION56chain 'J' and (resid 105 through 123 )
55X-RAY DIFFRACTION57chain 'J' and (resid 124 through 131 )
56X-RAY DIFFRACTION58chain 'K' and (resid 1 through 9 )
57X-RAY DIFFRACTION59chain 'K' and (resid 10 through 23 )
58X-RAY DIFFRACTION60chain 'K' and (resid 24 through 34 )
59X-RAY DIFFRACTION61chain 'K' and (resid 35 through 51 )
60X-RAY DIFFRACTION62chain 'K' and (resid 52 through 130 )
61X-RAY DIFFRACTION63chain 'L' and (resid 1 through 7 )
62X-RAY DIFFRACTION64chain 'L' and (resid 8 through 70 )
63X-RAY DIFFRACTION65chain 'L' and (resid 71 through 98 )
64X-RAY DIFFRACTION66chain 'L' and (resid 99 through 130 )

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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