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- PDB-9bif: Fab B11-OspCA complex -

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データを開く


IDまたはキーワード:

読み込み中...

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基本情報

登録情報
データベース: PDB / ID: 9bif
タイトルFab B11-OspCA complex
要素
  • Outer surface protein C
  • VH-CH1 domain of B11 Fab
  • VH-VL domain of B11 Fab
キーワードIMMUNE SYSTEM / anti-OspCA monoclonal antibody
機能・相同性external side of cell outer membrane / Lipoprotein, OspC-type / Outer surface protein C-like superfamily / Lipoprotein / Prokaryotic membrane lipoprotein lipid attachment site profile. / cell surface / membrane / PRASEODYMIUM ION / Outer surface protein C
機能・相同性情報
生物種Homo sapiens (ヒト)
Borreliella burgdorferi B31 (バクテリア)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 3.09 Å
データ登録者Rudolph, M.J. / Mantis, N.
資金援助 米国, 1件
組織認可番号
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)75N93019C00040 米国
引用ジャーナル: J Immunol. / : 2024
タイトル: Structure of a Human Monoclonal Antibody in Complex with Outer Surface Protein C of the Lyme Disease Spirochete, Borreliella burgdorferi.
著者: Rudolph, M.J. / Chen, Y. / Vorauer, C. / Vance, D.J. / Piazza, C.L. / Willsey, G.G. / McCarthy, K. / Muriuki, B. / Cavacini, L.A. / Guttman, M. / Mantis, N.J.
履歴
登録2024年4月23日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02024年11月20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
H: VH-CH1 domain of B11 Fab
L: VH-VL domain of B11 Fab
A: Outer surface protein C
B: Outer surface protein C
C: VH-CH1 domain of B11 Fab
D: VH-VL domain of B11 Fab
G: VH-CH1 domain of B11 Fab
I: VH-VL domain of B11 Fab
E: Outer surface protein C
F: Outer surface protein C
J: VH-CH1 domain of B11 Fab
K: VH-VL domain of B11 Fab
O: VH-CH1 domain of B11 Fab
P: VH-VL domain of B11 Fab
M: Outer surface protein C
N: Outer surface protein C
Q: VH-CH1 domain of B11 Fab
R: VH-VL domain of B11 Fab
U: VH-CH1 domain of B11 Fab
V: VH-VL domain of B11 Fab
S: Outer surface protein C
T: Outer surface protein C
W: VH-CH1 domain of B11 Fab
X: VH-VL domain of B11 Fab
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)523,98238
ポリマ-522,64224
非ポリマー1,34014
3,963220
1
H: VH-CH1 domain of B11 Fab
L: VH-VL domain of B11 Fab
A: Outer surface protein C
B: Outer surface protein C
C: VH-CH1 domain of B11 Fab
D: VH-VL domain of B11 Fab
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)130,9789
ポリマ-130,6616
非ポリマー3173
1086
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area16630 Å2
ΔGint-136 kcal/mol
Surface area48490 Å2
手法PISA
2
G: VH-CH1 domain of B11 Fab
I: VH-VL domain of B11 Fab
E: Outer surface protein C
F: Outer surface protein C
J: VH-CH1 domain of B11 Fab
K: VH-VL domain of B11 Fab
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)130,9428
ポリマ-130,6616
非ポリマー2822
1086
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area16870 Å2
ΔGint-123 kcal/mol
Surface area48060 Å2
手法PISA
3
O: VH-CH1 domain of B11 Fab
P: VH-VL domain of B11 Fab
M: Outer surface protein C
N: Outer surface protein C
Q: VH-CH1 domain of B11 Fab
R: VH-VL domain of B11 Fab
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)130,9789
ポリマ-130,6616
非ポリマー3173
1086
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area16800 Å2
ΔGint-132 kcal/mol
Surface area48180 Å2
手法PISA
4
U: VH-CH1 domain of B11 Fab
V: VH-VL domain of B11 Fab
S: Outer surface protein C
T: Outer surface protein C
W: VH-CH1 domain of B11 Fab
X: VH-VL domain of B11 Fab
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)131,08412
ポリマ-130,6616
非ポリマー4246
1086
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area16780 Å2
ΔGint-169 kcal/mol
Surface area48470 Å2
手法PISA
単位格子
Length a, b, c (Å)96.737, 97.294, 168.343
Angle α, β, γ (deg.)97.60, 90.27, 106.21
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, 8分子 ABEFMNST

#3: タンパク質
Outer surface protein C / PC


分子量: 17528.031 Da / 分子数: 8 / 由来タイプ: 組換発現
由来: (組換発現) Borreliella burgdorferi B31 (バクテリア)
遺伝子: ospC, BB_B19 / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: Q07337

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抗体 , 2種, 16分子 HCGJOQUWLDIKPRVX

#1: 抗体
VH-CH1 domain of B11 Fab


分子量: 24161.068 Da / 分子数: 8 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 発現宿主: Homo sapiens (ヒト)
#2: 抗体
VH-VL domain of B11 Fab


分子量: 23641.191 Da / 分子数: 8 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 発現宿主: Homo sapiens (ヒト)

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非ポリマー , 3種, 234分子

#4: 化合物
ChemComp-PR / PRASEODYMIUM ION


分子量: 140.908 Da / 分子数: 8 / 由来タイプ: 合成 / : Pr
#5: 化合物
ChemComp-CL / CHLORIDE ION / クロリド


分子量: 35.453 Da / 分子数: 6 / 由来タイプ: 合成 / : Cl
#6: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 220 / 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: 2.88 Å3/Da / 溶媒含有率: 57.33 %
結晶化温度: 295 K / 手法: 蒸気拡散法, シッティングドロップ法
詳細: 100 mM sodium HEPES [pH 6.5], 18.6% PEG 6K, and 6.6 mM prasseodymium acetate

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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: APS / ビームライン: 24-ID-E / 波長: 0.979 Å
検出器タイプ: DECTRIS EIGER X 16M / 検出器: PIXEL / 日付: 2022年12月4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: 0.979 Å / 相対比: 1
反射解像度: 3.09→50 Å / Num. obs: 96279 / % possible obs: 90.8 % / 冗長度: 3.1 % / CC1/2: 0.75 / Net I/σ(I): 7.6
反射 シェル解像度: 3.09→3.15 Å / Num. unique obs: 9069 / CC1/2: 0.51

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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
HKL-2000データスケーリング
HKL-2000データ削減
PHASER位相決定
精密化構造決定の手法: 分子置換 / 解像度: 3.09→48.62 Å / SU ML: 0.51 / 交差検証法: FREE R-VALUE / σ(F): 1.93 / 位相誤差: 32.7 / 立体化学のターゲット値: ML
Rfactor反射数%反射
Rfree0.295 4723 4.91 %
Rwork0.2398 --
obs0.2425 96238 90 %
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: 3.09→48.62 Å
タンパク質核酸リガンド溶媒全体
原子数35347 0 14 220 35581
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.00435994
X-RAY DIFFRACTIONf_angle_d0.96848802
X-RAY DIFFRACTIONf_dihedral_angle_d7.3414930
X-RAY DIFFRACTIONf_chiral_restr0.0525664
X-RAY DIFFRACTIONf_plane_restr0.0066203
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.09-3.130.4311200.31732359X-RAY DIFFRACTION68
3.13-3.160.33851660.29293021X-RAY DIFFRACTION91
3.16-3.20.34361530.27953012X-RAY DIFFRACTION89
3.2-3.240.33381530.28383042X-RAY DIFFRACTION88
3.24-3.280.31381230.28942739X-RAY DIFFRACTION82
3.28-3.330.36321410.28972717X-RAY DIFFRACTION79
3.33-3.380.38821490.29783107X-RAY DIFFRACTION92
3.38-3.430.34561760.28763210X-RAY DIFFRACTION95
3.43-3.480.3671560.26423262X-RAY DIFFRACTION95
3.48-3.540.32411840.26523190X-RAY DIFFRACTION95
3.54-3.60.34091840.2663222X-RAY DIFFRACTION95
3.6-3.660.28971510.25943177X-RAY DIFFRACTION94
3.66-3.730.30791740.25733249X-RAY DIFFRACTION95
3.73-3.810.32811900.24913132X-RAY DIFFRACTION94
3.81-3.890.31421540.25233217X-RAY DIFFRACTION94
3.89-3.980.32181650.25113100X-RAY DIFFRACTION93
3.98-4.080.32291680.23983089X-RAY DIFFRACTION92
4.08-4.190.26051590.23043161X-RAY DIFFRACTION92
4.19-4.320.26051640.21913050X-RAY DIFFRACTION90
4.32-4.460.25291810.20582956X-RAY DIFFRACTION88
4.46-4.620.26011660.212923X-RAY DIFFRACTION86
4.62-4.80.26091440.21242734X-RAY DIFFRACTION82
4.8-5.020.24541120.21292726X-RAY DIFFRACTION80
5.02-5.280.27851520.2233158X-RAY DIFFRACTION93
5.28-5.610.2871430.2293239X-RAY DIFFRACTION95
5.61-6.050.26761570.23293252X-RAY DIFFRACTION95
6.05-6.650.28091980.23713135X-RAY DIFFRACTION94
6.65-7.610.30451600.23423174X-RAY DIFFRACTION93
7.61-9.580.23691320.20022932X-RAY DIFFRACTION85
9.58-48.620.23441480.20393230X-RAY DIFFRACTION95
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)
10.3108-0.290.22590.7906-0.08540.1949-0.4727-0.33680.0672-0.1966-0.16730.1419-0.2039-0.6623-0.07460.54870.1148-0.22951.50080.33230.562619.6915-53.592618.4672
20.7517-0.19990.57560.54420.03220.5653-0.1835-0.3723-0.1204-0.05450.04820.0019-0.01160.4010.12390.21110.0261-0.25951.49670.28980.17218.2795-47.761426.9461
33.5986-2.0917-0.38861.19820.21790.0474-0.2736-0.7966-1.24630.08280.07150.36530.33670.2015-0.25590.37270.0981-0.12641.46970.47710.5692.4237-56.624548.8622
42.1741.3474-2.58972.8134-0.91393.33410.223-0.57421.6644-0.0533-0.0397-0.0266-1.11410.4863-0.29130.4835-0.1145-0.11040.67840.02570.68594.3301-27.953726.5238
53.5449-2.25551.02551.95880.61683.3586-0.04410.18560.4625-0.19510.25390.217-0.84680.6375-0.00540.3577-0.2856-0.22780.81980.14840.46254.99-33.938616.9076
64.245-1.0875-2.21111.7930.59171.1514-0.04030.05110.17430.0383-0.01160.1658-0.68081.02840.08080.351-0.1929-0.02570.85710.13790.3374.466-34.988125.8833
74.3066-2.91214.55392.8722-2.89076.6037-0.1956-0.97340.24120.50270.2373-0.595-0.5140.60250.16850.44960.1328-0.0481.5327-0.01940.49115.5678-41.818356.1913
84.77432.01592.64693.075-1.68044.99150.5550.3736-1.2172-0.37350.05260.06910.54120.6188-0.490.40210.2392-0.1840.7815-0.12790.6804-5.4749-42.090240.0433
90.6785-1.1025-0.36011.91210.41110.4177-0.5924-0.5266-0.12350.49860.5434-0.1565-0.61260.91440.02080.6496-0.00490.00482.20160.03180.4775.2809-39.59662.1085
105.3941-2.0134-1.37942.27241.15171.7785-0.0539-0.5129-0.04470.03470.0294-0.0913-0.58240.7588-0.00840.5277-0.0994-0.1250.92890.13320.32216.3242-50.5858-7.0906
119.5251-0.2153-2.71992.2310.20156.75780.3551-0.8648-0.6961-0.2148-0.091-0.05150.41260.6728-0.28390.6213-0.0124-0.16550.7740.10240.354130.7473-59.6446-8.1799
127.7903-2.28820.89263.10940.18121.65210.6499-0.0138-1.3983-0.3003-0.5412-0.04630.20650.6532-0.12930.60170.0766-0.16741.16710.30680.579724.6736-69.7797-9.0922
132.6663-0.178-1.26394.66511.12562.67850.78880.0039-0.6825-0.7776-0.75230.7462-0.0059-0.32480.01750.49290.1029-0.17560.92390.01650.368313.6263-56.7858-14.3152
141.4752-0.7006-0.90463.07951.34120.94480.18750.25070.1937-0.52720.04820.47970.1283-0.3912-0.11420.5459-0.074-0.30481.10180.21030.31220.9153-44.1791-5.1996
152.666-0.1747-0.71321.40951.34721.390.17920.0019-0.24390.186-0.1241-0.2838-0.21230.7126-0.08080.4452-0.0287-0.0351.27180.12820.36834.7763-50.1591-5.8196
164.6760.7545-3.665.16171.62814.40490.1058-0.0335-0.1172-0.14530.2531-0.32450.34061.2347-0.3731.0117-0.5376-0.05981.7593-0.01790.573250.1109-52.711-5.9096
170.5776-0.10050.59630.9793-0.47411.6891-0.378-0.17890.12270.37920.2711-0.4014-0.02690.680.1170.368-0.13-0.16121.36620.12080.283133.8784-45.80951.2344
181.63190.54071.91642.60380.04432.39440.25020.24340.15150.0205-0.19632.6883-0.1463-1.8315-0.0470.6720.1269-0.14061.7767-0.43241.61623.3525-28.71461.6386
192.0768-0.40030.35532.5323-0.59043.18870.1074-0.6827-0.1518-0.2079-0.38590.2048-0.8370.37580.34650.5052-0.1139-0.16611.08060.05860.559722.4273-46.1709-30.5216
201.24070.49240.2282.1874-1.0542.60890.24970.3381-0.3075-0.1579-0.2729-0.16660.11270.6057-0.00740.51160.0926-0.17810.86910.10330.331916.5535-49.6931-34.1433
212.177-0.88320.33373.1025-0.56433.1917-0.33360.01320.28950.18750.1856-0.4449-0.40630.93220.13380.5354-0.1451-0.09850.6945-0.09820.348817.7271-29.2628-62.8363
223.301-0.4481.72582.8307-1.96364.3392-0.0482-0.7857-0.17330.0660.15110.4526-0.2305-0.0226-0.06230.503-0.0123-0.09090.7928-0.05940.2655-2.1058-37.4743-30.3574
230.9288-0.71161.05251.7472-2.23814.1890.1919-0.3936-0.08670.1646-0.06290.0441-0.07660.423-0.07290.5376-0.154-0.15570.6660.0270.32040.3396-36.5154-36.5538
244.1867-2.2893-1.24023.5230.79455.51080.12390.1728-0.0564-0.4526-0.1152-0.22270.21070.2244-0.01140.5963-0.1638-0.12510.37970.03530.28633.1113-34.9356-67.8168
250.08290.5584-0.44297.3014-6.33995.52930.32840.16290.15790.50540.27660.5592-0.1243-0.5434-0.45480.6343-0.0234-0.0121.27010.43390.53446.8763-63.083795.0112
269.4059-2.08641.00923.218-0.30851.3545-0.0531.4747-0.2667-0.0472-0.5768-0.812-0.5596-0.0510.54630.31010.0369-0.1741.1270.07570.613449.392-59.692681.7652
273.43020.07531.63773.91190.66735.59760.2028-0.4815-0.45270.2038-0.21210.2580.2323-0.26550.03780.2954-0.0361-0.09270.75130.07380.269954.0437-67.344888.6307
281.17810.25-0.13961.2024-1.16643.82690.0521-0.25530.1710.2990.0770.4142-0.2762-1.3453-0.11420.41110.03160.04560.90510.22810.609853.4984-54.5247118.0643
291.55580.37680.45991.54130.45973.18830.00050.1975-0.1365-0.22640.01560.0783-0.38480.2832-0.00590.37310.0324-0.10740.41990.14790.344170.5203-54.52597.0503
306.14943.0823-1.34745.4280.19414.54790.0327-0.183-0.15070.5250.05560.197-0.101-0.0911-0.13170.39740.0856-0.10560.47660.0580.266269.117-61.1409125.3823
315.2241.17650.04532.0612-0.21851.78030.45350.58640.01420.07160.14540.20010.3471-0.7203-0.57670.5848-0.0648-0.14331.0170.16190.246344.3358-64.847963.6275
323.68961.771.57917.0172-0.17025.2855-0.60350.8096-0.6969-1.06910.6354-0.79330.50080.0533-0.09970.59850.01890.00440.9068-0.13280.336357.1129-73.912158.3579
336.12771.04563.96180.60990.82042.6099-0.15580.3326-0.7644-0.03170.48780.12570.7211-0.8216-0.20150.557-0.2329-0.08091.1857-0.07210.688238.2263-80.96766.3968
344.2706-0.24010.22377.09341.45430.33970.58770.252-0.41741.2218-0.0606-1.96170.30850.4553-0.53180.5430.001-0.22120.93990.06740.562261.5097-62.569168.929
352.48851.56490.6113.2780.13111.54080.24290.32860.19130.39370.2724-0.09110.0885-0.0466-0.09920.3920.1529-0.08940.87190.05080.408949.5959-53.44363.9131
362.90320.13480.15472.1581-0.77951.59640.03360.738-0.4701-0.4315-0.03440.31810.9186-0.6696-0.19970.9423-0.1434-0.05641.1298-0.02590.460833.7786-76.114951.8565
3720.07281.01450.8106-0.87111.7245-0.0399-0.60060.22190.33460.02030.0297-0.0715-0.2290.30480.34180.161-0.16281.19670.15370.268136.4932-51.771567.8447
380.74380.16510.69640.5250.30531.2544-0.0526-0.0251-0.00210.1840.4190.10830.1227-0.23420.22950.48110.0219-0.38751.45110.41010.345736.8686-52.994158.136
390.06360.1911-0.10251.86191.08591.69620.60140.0439-0.13390.2330.23540.61390.19890.3279-0.56220.36430.25590.08251.280.00080.610650.4504-55.84831.7518
400.53390.88430.4642.38610.81530.40290.00980.2918-0.25610.12670.1409-0.4450.0294-0.3402-0.34990.4792-0.1189-0.16641.2260.09170.410951.3778-55.733645.9218
411.29060.45750.90322.47340.30132.3388-0.0420.30940.0982-0.01260.30620.0163-0.0326-0.5465-0.29680.38940.1172-0.06531.25950.22350.286146.4334-47.44940.5474
420.1711-0.0697-0.16550.0709-0.08960.71020.20170.5227-0.1308-0.04590.1424-0.08440.262-0.1993-0.0880.15330.0605-0.39921.5760.07760.255551.9902-49.980334.0175
432.84841.29681.23852.56270.1610.6268-0.08880.9961-0.5418-0.2890.2351-0.46730.4441-0.0415-0.35490.4711-0.1353-0.18971.6126-0.05810.452168.4404-50.59677.443
442.6494-0.6733-2.38324.654-0.43636.67490.29380.0290.75310.0525-0.25310.4645-0.9757-0.32150.1870.57160.1733-0.24490.88010.01030.464463.9129-31.295740.3705
454.19511.9525-0.45955.0243-0.47037.36270.1015-0.09110.31120.22630.5176-0.2649-0.0616-0.4686-0.38870.42240.101-0.11760.77310.06630.270168.0043-38.469245.2638
464.76911.5208-2.89541.3589-1.21884.0557-0.0118-0.13090.01090.25530.0005-0.049-0.7023-0.22260.04630.35570.1202-0.07990.71080.0480.468566.1825-36.26936.2541
473.59110.48644.65781.281.04176.1941-0.24320.76410.3535-0.22980.41950.2329-0.4912-0.74320.05060.4340.04020.03981.40260.18130.40665.2117-35.30474.9955
482.77961.34623.68933.21831.49984.9583-0.04971.13060.1988-0.4549-0.1049-0.0716-0.4808-0.53610.02040.51210.1727-0.1191.48320.19690.631668.0607-33.68684.5575
495.037-2.20592.71921.2609-1.14053.7198-0.2227-0.09660.5750.36570.178-0.3364-1.2055-0.02620.00171.3549-0.3712-0.04610.71680.03270.6088-2.7346-90.089240.6423
504.38650.4909-0.0042.988-1.47163.9124-0.4181-0.2009-0.1866-0.37430.1253-0.52360.5844-0.85870.25890.7592-0.10740.1120.92370.21810.42454.6093-90.269450.4091
514.18360.0183-0.9210.10980.57233.293-0.32160.24360.0056-0.86670.0186-0.3248-0.59060.38520.32631.0571-0.11530.10090.67990.13810.40213.9899-88.981248.1465
522.3899-2.61570.75546.6083-1.5152.7491-0.30620.8679-0.1152-0.77370.18670.343-0.6873-0.4676-0.02671.3659-0.09810.15071.56280.06090.4145-1.5229-87.614828.0758
535.0797-2.4843-0.05017.131-0.22110.0110.05321.2985-0.4337-1.1888-0.80590.0788-0.5585-0.92660.69851.3516-0.04720.07271.2268-0.07320.56285.9213-98.202312.9869
540.85910.220.95151.6642-1.46132.86060.70651.8436-0.2101-1.9064-0.0123-0.0402-1.1757-0.6011-0.68471.34530.23650.08981.7622-0.11450.7983-2.003-101.42548.7974
552.60640.98770.97592.361-0.35640.6370.32740.5166-0.1871-0.6142-0.2328-0.76210.00311.0958-0.14891.076-0.09080.41121.74610.0820.855725.6786-97.834442.9614
561.65021.3415-1.2961.7033-1.68781.6763-0.3382-0.0651-0.47430.14130.0619-0.30430.48871.23690.30391.0624-0.05370.27351.47740.07680.685720.7502-101.805842.9308
571.0746-0.9388-0.4971.94720.13021.48690.01190.43570.167-0.71970.0306-0.0473-0.3826-0.1101-0.03031.9775-0.38020.41341.61990.02070.647417.9151-91.84549.6097
584.6532-2.6372-0.92843.37280.50910.66670.2569-0.94380.1886-0.24230.2611-0.4202-0.1270.2719-0.4130.3648-0.21310.05390.73640.27750.37244.7963-94.934871.5107
591.08530.8071-0.02742.2566-1.0151.9899-0.01210.12550.5155-0.07670.10120.2919-0.59860.1999-0.04580.7414-0.135-0.00590.4098-0.00630.4024-6.5483-80.344572.9127
603.592-2.80290.51576.3891-1.15152.03190.1241-0.15490.7748-0.7698-0.5884-1.46070.07460.46030.35010.6303-0.35490.08330.95560.2410.633211.201-90.400767.1398
611.38960.27590.84480.849-0.34280.9468-0.28670.04450.0776-0.1932-0.0974-0.2539-0.35290.544-0.01870.5561-0.20560.1540.38740.04450.235-2.3341-95.815574.5956
624.1674-0.6765-0.53172.9439-0.78843.0753-0.04450.1235-0.3322-0.4417-0.05480.46740.0372-0.07610.00590.3073-0.1208-0.10610.32660.06950.1955-12.5967-100.503874.2625
632.055-0.9259-2.06931.37760.72745.13680.773-0.26771.1989-0.03640.07430.3834-0.89420.4344-0.73450.315-0.22440.05420.50950.02840.37940.7763-99.0198104.003
643.90750.73470.89627.5955-2.57263.49550.09911.54330.5304-1.0677-0.0408-0.94140.12630.8043-0.1140.329-0.05160.11420.70210.06620.45952.2944-98.600290.0316
654.1638-0.13170.52624.1979-0.35995.0231-0.2013-0.02210.18730.21430.12120.3366-0.0981-0.24740.04630.13840.01850.00040.29940.0430.128-2.3543-106.313796.933
662.292-0.06320.26781.2822-0.31421.82860.0221-0.61960.02650.41360.1104-0.1331-0.44720.28510.00330.2943-0.052-0.04660.5377-0.19140.349115.9487-104.1946122.8048
671.24321.1879-0.14111.49410.01221.456-0.20850.5037-0.2768-0.1038-0.1680.06710.56180.25290.09310.4033-0.09170.02940.3367-0.01460.290816.816-125.308398.0218
683.5651-0.38710.04184.7140.06013.4307-0.34940.2597-0.1814-0.1729-0.3999-0.2994-0.04590.0970.73520.16320.05880.02650.40660.09040.326815.3576-114.905190.8784
694.0352-1.07062.09171.4279-1.02512.30220.22990.565-0.3385-0.1444-0.1087-0.09120.5648-0.1217-0.1220.1862-0.07630.15710.344-0.08380.260916.8241-119.746496.8855
702.7964-0.678-2.31472.69130.96485.1995-0.0484-0.5996-0.14260.5545-0.00820.08890.3335-0.69030.04970.24590.0601-0.08020.74790.03370.271416.9112-120.2763130.7227
713.03760.458-0.83352.4152-0.2257.2023-0.2775-0.33610.06271.283-0.06620.54371.73880.43660.31210.94360.17930.23360.81320.12230.410771.1832-85.53680.7144
724.24340.6603-2.6431.157-1.64277.0420.35680.33440.18940.5577-0.08260.50910.3493-0.4299-0.24230.87460.0260.21590.56320.03270.200961.7775-78.5021.5979
731.87190.1385-0.46050.016-0.195.35770.0702-0.5473-0.13920.9312-0.09340.17910.46960.25610.05471.4466-0.02950.13430.6264-0.00790.36766.9888-84.86554.6791
742.47240.39751.02110.09440.20510.4720.4408-0.5579-0.67050.4535-0.3026-0.00410.77490.1027-0.04422.806-0.27540.23881.52150.07720.780467.0897-102.34932.569
751.7702-0.9842-0.97390.770.68971.7038-0.06420.0693-0.12390.4658-0.34940.41040.9675-0.89490.25241.4612-0.61050.72351.2437-0.52440.871246.1823-94.75950.1315
760.78760.5804-0.68531.43860.06010.9219-0.0283-0.3725-0.13071.30790.12690.37870.7675-0.1893-0.00812.2078-0.37480.88770.8687-0.12441.007352.1603-95.801215.8301
770.69650.2054-0.25960.2041-0.13860.2284-0.2779-0.4457-0.33450.16-0.00580.00610.29380.08610.01222.8661-0.25330.97111.44590.11770.911950.3837-95.858535.9475
785.18321.5311.21431.86640.21651.43410.42130.1568-0.30830.3885-0.07190.10260.20180.3953-0.18770.42050.1730.08210.4362-0.13630.280571.8783-80.334-21.7316
792.36571.63180.51442.53220.69793.42950.01530.58260.28830.0781-0.07540.4533-0.2214-0.32170.12140.44380.11730.03840.3217-0.0340.292868.6051-67.2275-25.3638
801.56720.90440.73154.53240.76386.0927-0.1072-0.12290.18180.86040.0161-0.2163-0.18160.3283-0.17130.39710.0843-0.09160.4832-0.06920.373680.0453-61.1266-16.0583
812.24791.79390.32563.6441-0.10710.8877-0.02740.29380.22150.8881-0.06610.42510.1959-0.5285-0.13540.46890.17180.15240.7001-0.14770.362757.3266-78.388-18.1475
824.5843.31520.21387.8441-1.5974.43640.5217-0.1106-0.13290.7890.02350.26240.1688-0.7202-0.48610.43930.1020.10860.3180.00830.311568.1797-88.1258-25.4772
833.4538-0.15910.41958.53831.08041.3463-0.72840.17390.3491-0.61130.3439-0.2636-1.0086-0.5771-0.05490.60890.1045-0.01140.39540.01150.157781.3343-60.737-31.8316
842.00240.25070.29462.92761.90421.6829-0.1744-0.2648-0.19450.38480.4012-0.49820.344-0.0077-0.18150.38670.1566-0.09020.5622-0.15970.239483.0884-86.8424-23.2732
853.92680.8326-0.74587.4785-0.38216.715-0.1455-0.44750.2990.4490.2091-0.7879-0.02730.8289-0.08940.43980.2489-0.18420.5416-0.2290.446896.9766-74.6757-25.4762
862.3250.1455-0.55962.2416-0.64092.96060.3305-0.18740.075-0.3323-0.0267-0.3756-0.13740.3767-0.06390.51230.01470.07090.5597-0.1710.211790.4319-78.7826-35.1436
875.67612.2447-1.093.6428-0.37772.7179-0.26560.3396-0.2639-0.29130.16670.46650.2806-0.66930.11110.3382-0.01610.02610.6057-0.08370.254769.9368-94.5502-31.6026
882.2088-0.61550.81362.74853.1465.00060.0912-0.11930.01190.4201-0.2722-0.2767-0.3577-0.54210.14970.351-0.0936-0.07640.220.06680.34867.3577-78.2101-48.8881
892.388-0.09331.33290.8387-0.59083.7523-0.14050.16480.145-0.110.06070.06980.03410.18210.07230.15280.0517-0.0620.18320.05550.265766.1856-83.4662-57.8587
905.6378-0.73421.54481.98131.14511.5460.0710.3630.7344-0.38880.11130.3736-0.4823-0.33050.03290.28320.0286-0.08670.56190.20480.480950.4051-74.2959-79.6638
913.2715-0.66133.47532.8341-0.62034.78690.49810.2131-2.2255-0.87960.03210.25791.12520.6574-0.58210.53320.08530.07940.4284-0.0670.702657.3213-103.3431-58.9607
927.2837-4.18012.59644.0668-1.43272.682-0.0396-0.2099-0.7169-0.2941-0.4570.34840.7041-0.12380.22850.29290.06870.09440.472-0.05240.343746.7901-103.7407-55.9572
934.37370.13130.4363.23740.44294.75660.07830.0916-0.49060.36720.0264-0.0166-0.4392-0.6013-0.01630.11810.0362-0.05740.3707-0.09380.216753.4789-95.2493-47.8012
942.46080.92430.42020.94860.59241.46020.09280.5046-0.159-0.06940.07660.12160.31430.1187-0.13040.13130.0683-0.0280.32150.00690.303451.9711-93.9131-68.2481
951.79450.7175-0.0854.0861-0.8834.9712-0.55981.1827-0.0786-0.66380.0769-0.41430.3074-0.05540.34830.4041-0.1125-0.01820.7935-0.01890.386552.3258-91.1425-88.2769
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'H' and (resid 1 through 37 )
2X-RAY DIFFRACTION2chain 'H' and (resid 38 through 151 )
3X-RAY DIFFRACTION3chain 'H' and (resid 152 through 221 )
4X-RAY DIFFRACTION4chain 'L' and (resid 1 through 25 )
5X-RAY DIFFRACTION5chain 'L' and (resid 26 through 75 )
6X-RAY DIFFRACTION6chain 'L' and (resid 76 through 114 )
7X-RAY DIFFRACTION7chain 'L' and (resid 115 through 164 )
8X-RAY DIFFRACTION8chain 'L' and (resid 165 through 175 )
9X-RAY DIFFRACTION9chain 'L' and (resid 176 through 214 )
10X-RAY DIFFRACTION10chain 'A' and (resid 45 through 75 )
11X-RAY DIFFRACTION11chain 'A' and (resid 76 through 120 )
12X-RAY DIFFRACTION12chain 'A' and (resid 121 through 159 )
13X-RAY DIFFRACTION13chain 'A' and (resid 160 through 199 )
14X-RAY DIFFRACTION14chain 'B' and (resid 45 through 75 )
15X-RAY DIFFRACTION15chain 'B' and (resid 76 through 140 )
16X-RAY DIFFRACTION16chain 'B' and (resid 141 through 145 )
17X-RAY DIFFRACTION17chain 'B' and (resid 146 through 195 )
18X-RAY DIFFRACTION18chain 'B' and (resid 196 through 201 )
19X-RAY DIFFRACTION19chain 'C' and (resid 1 through 37 )
20X-RAY DIFFRACTION20chain 'C' and (resid 38 through 127 )
21X-RAY DIFFRACTION21chain 'C' and (resid 128 through 221 )
22X-RAY DIFFRACTION22chain 'D' and (resid 1 through 75 )
23X-RAY DIFFRACTION23chain 'D' and (resid 76 through 114 )
24X-RAY DIFFRACTION24chain 'D' and (resid 115 through 215 )
25X-RAY DIFFRACTION25chain 'G' and (resid 1 through 17 )
26X-RAY DIFFRACTION26chain 'G' and (resid 18 through 37 )
27X-RAY DIFFRACTION27chain 'G' and (resid 38 through 102 )
28X-RAY DIFFRACTION28chain 'G' and (resid 103 through 222 )
29X-RAY DIFFRACTION29chain 'I' and (resid 2 through 129 )
30X-RAY DIFFRACTION30chain 'I' and (resid 130 through 213 )
31X-RAY DIFFRACTION31chain 'E' and (resid 44 through 114 )
32X-RAY DIFFRACTION32chain 'E' and (resid 115 through 140 )
33X-RAY DIFFRACTION33chain 'E' and (resid 141 through 169 )
34X-RAY DIFFRACTION34chain 'E' and (resid 170 through 201 )
35X-RAY DIFFRACTION35chain 'F' and (resid 45 through 75 )
36X-RAY DIFFRACTION36chain 'F' and (resid 76 through 94 )
37X-RAY DIFFRACTION37chain 'F' and (resid 95 through 140 )
38X-RAY DIFFRACTION38chain 'F' and (resid 141 through 198 )
39X-RAY DIFFRACTION39chain 'J' and (resid 1 through 17 )
40X-RAY DIFFRACTION40chain 'J' and (resid 18 through 36 )
41X-RAY DIFFRACTION41chain 'J' and (resid 37 through 78 )
42X-RAY DIFFRACTION42chain 'J' and (resid 79 through 127 )
43X-RAY DIFFRACTION43chain 'J' and (resid 128 through 221 )
44X-RAY DIFFRACTION44chain 'K' and (resid 1 through 38 )
45X-RAY DIFFRACTION45chain 'K' and (resid 39 through 75 )
46X-RAY DIFFRACTION46chain 'K' and (resid 76 through 114 )
47X-RAY DIFFRACTION47chain 'K' and (resid 115 through 164 )
48X-RAY DIFFRACTION48chain 'K' and (resid 165 through 214 )
49X-RAY DIFFRACTION49chain 'O' and (resid 1 through 17 )
50X-RAY DIFFRACTION50chain 'O' and (resid 18 through 62 )
51X-RAY DIFFRACTION51chain 'O' and (resid 63 through 112 )
52X-RAY DIFFRACTION52chain 'O' and (resid 113 through 127 )
53X-RAY DIFFRACTION53chain 'O' and (resid 128 through 196 )
54X-RAY DIFFRACTION54chain 'O' and (resid 197 through 221 )
55X-RAY DIFFRACTION55chain 'P' and (resid 2 through 38 )
56X-RAY DIFFRACTION56chain 'P' and (resid 39 through 114 )
57X-RAY DIFFRACTION57chain 'P' and (resid 115 through 211 )
58X-RAY DIFFRACTION58chain 'M' and (resid 45 through 75 )
59X-RAY DIFFRACTION59chain 'M' and (resid 76 through 169 )
60X-RAY DIFFRACTION60chain 'M' and (resid 170 through 198 )
61X-RAY DIFFRACTION61chain 'N' and (resid 44 through 85 )
62X-RAY DIFFRACTION62chain 'N' and (resid 86 through 201 )
63X-RAY DIFFRACTION63chain 'Q' and (resid 1 through 17 )
64X-RAY DIFFRACTION64chain 'Q' and (resid 18 through 37 )
65X-RAY DIFFRACTION65chain 'Q' and (resid 38 through 102 )
66X-RAY DIFFRACTION66chain 'Q' and (resid 103 through 221 )
67X-RAY DIFFRACTION67chain 'R' and (resid 1 through 25 )
68X-RAY DIFFRACTION68chain 'R' and (resid 26 through 61 )
69X-RAY DIFFRACTION69chain 'R' and (resid 62 through 114 )
70X-RAY DIFFRACTION70chain 'R' and (resid 115 through 214 )
71X-RAY DIFFRACTION71chain 'U' and (resid 1 through 37 )
72X-RAY DIFFRACTION72chain 'U' and (resid 38 through 73 )
73X-RAY DIFFRACTION73chain 'U' and (resid 74 through 127 )
74X-RAY DIFFRACTION74chain 'U' and (resid 128 through 221 )
75X-RAY DIFFRACTION75chain 'V' and (resid 2 through 75 )
76X-RAY DIFFRACTION76chain 'V' and (resid 76 through 129 )
77X-RAY DIFFRACTION77chain 'V' and (resid 130 through 212 )
78X-RAY DIFFRACTION78chain 'S' and (resid 43 through 89 )
79X-RAY DIFFRACTION79chain 'S' and (resid 90 through 140 )
80X-RAY DIFFRACTION80chain 'S' and (resid 141 through 169 )
81X-RAY DIFFRACTION81chain 'S' and (resid 170 through 199 )
82X-RAY DIFFRACTION82chain 'T' and (resid 44 through 75 )
83X-RAY DIFFRACTION83chain 'T' and (resid 76 through 89 )
84X-RAY DIFFRACTION84chain 'T' and (resid 90 through 140 )
85X-RAY DIFFRACTION85chain 'T' and (resid 141 through 151 )
86X-RAY DIFFRACTION86chain 'T' and (resid 152 through 169 )
87X-RAY DIFFRACTION87chain 'T' and (resid 170 through 199 )
88X-RAY DIFFRACTION88chain 'W' and (resid 1 through 37 )
89X-RAY DIFFRACTION89chain 'W' and (resid 38 through 151 )
90X-RAY DIFFRACTION90chain 'W' and (resid 152 through 221 )
91X-RAY DIFFRACTION91chain 'X' and (resid 1 through 13 )
92X-RAY DIFFRACTION92chain 'X' and (resid 14 through 25 )
93X-RAY DIFFRACTION93chain 'X' and (resid 26 through 61 )
94X-RAY DIFFRACTION94chain 'X' and (resid 62 through 151 )
95X-RAY DIFFRACTION95chain 'X' and (resid 152 through 214 )

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万見について

-
お知らせ

-
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

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