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- PDB-5boz: Ricin A chain bound to camelid nanobody (VHH9)(E1) -

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基本情報

登録情報
データベース: PDB / ID: 5boz
タイトルRicin A chain bound to camelid nanobody (VHH9)(E1)
要素
  • Ricin
  • VHH single chain antibody E1
キーワードHydrolase/Immune system / Toxin / VHH antibodies / Hydrolase-Immune system complex
機能・相同性
機能・相同性情報


rRNA N-glycosylase / rRNA N-glycosylase activity / AMP binding / defense response / toxin activity / carbohydrate binding / killing of cells of another organism / negative regulation of translation
類似検索 - 分子機能
Ricin (A Subunit), domain 2 / Ricin (A Subunit), domain 2 / Ricin (A subunit); domain 1 / Ricin (A subunit), domain 1 / Ricin-type beta-trefoil lectin domain / Ribosome-inactivating protein conserved site / Shiga/ricin ribosomal inactivating toxins active site signature. / Ribosome-inactivating protein type 1/2 / Ribosome-inactivating protein / Ribosome-inactivating protein, subdomain 1 ...Ricin (A Subunit), domain 2 / Ricin (A Subunit), domain 2 / Ricin (A subunit); domain 1 / Ricin (A subunit), domain 1 / Ricin-type beta-trefoil lectin domain / Ribosome-inactivating protein conserved site / Shiga/ricin ribosomal inactivating toxins active site signature. / Ribosome-inactivating protein type 1/2 / Ribosome-inactivating protein / Ribosome-inactivating protein, subdomain 1 / Ribosome-inactivating protein, subdomain 2 / Ribosome-inactivating protein superfamily / Ribosome inactivating protein / Ricin-type beta-trefoil / Lectin domain of ricin B chain profile. / Ricin B, lectin domain / Ricin B-like lectins / Few Secondary Structures / Irregular / Immunoglobulins / Immunoglobulin-like / Sandwich / 3-Layer(aba) Sandwich / Mainly Beta / Alpha Beta
類似検索 - ドメイン・相同性
生物種Ricinus communis (トウゴマ)
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: 3.1 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) 米国
引用ジャーナル: J. Biol. Chem. / : 2017
タイトル: Structural Analysis of Single Domain Antibodies Bound to a Second Neutralizing Hot Spot on Ricin Toxin's Enzymatic Subunit.
著者: Rudolph, M.J. / Vance, D.J. / Cassidy, M.S. / Rong, Y. / Mantis, N.J.
履歴
登録2015年5月27日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02016年12月7日Provider: repository / タイプ: Initial release
改定 1.12016年12月21日Group: Database references
改定 1.22017年2月1日Group: Database references
改定 1.32017年4月12日Group: Source and taxonomy / Structure summary
改定 1.42017年9月13日Group: Author supporting evidence / カテゴリ: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
改定 1.52019年12月11日Group: Author supporting evidence / カテゴリ: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
改定 1.62024年11月6日Group: Data collection / Database references / Structure summary
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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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: Ricin
G: VHH single chain antibody E1
B: Ricin
H: VHH single chain antibody E1
C: Ricin
I: VHH single chain antibody E1
D: Ricin
J: VHH single chain antibody E1
E: Ricin
K: VHH single chain antibody E1
F: Ricin
L: VHH single chain antibody E1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)261,26235
ポリマ-259,23412
非ポリマー2,02823
46826
1
A: Ricin
G: VHH single chain antibody E1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)43,4945
ポリマ-43,2062
非ポリマー2883
181
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area2480 Å2
ΔGint-36 kcal/mol
Surface area16600 Å2
手法PISA
2
B: Ricin
H: VHH single chain antibody E1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)43,6867
ポリマ-43,2062
非ポリマー4805
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area2930 Å2
ΔGint-66 kcal/mol
Surface area16760 Å2
手法PISA
3
C: Ricin
I: VHH single chain antibody E1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)43,5906
ポリマ-43,2062
非ポリマー3844
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area2030 Å2
ΔGint-28 kcal/mol
Surface area16820 Å2
手法PISA
4
D: Ricin
J: VHH single chain antibody E1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)43,4335
ポリマ-43,2062
非ポリマー2283
181
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area2110 Å2
ΔGint-28 kcal/mol
Surface area16850 Å2
手法PISA
5
E: Ricin
K: VHH single chain antibody E1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)43,5657
ポリマ-43,2062
非ポリマー3595
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area2780 Å2
ΔGint-51 kcal/mol
Surface area16630 Å2
手法PISA
6
F: Ricin
L: VHH single chain antibody E1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)43,4945
ポリマ-43,2062
非ポリマー2883
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area2400 Å2
ΔGint-30 kcal/mol
Surface area16690 Å2
手法PISA
単位格子
Length a, b, c (Å)239.610, 242.884, 355.693
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number22
Space group name H-MF222
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID
11
21
31
41
51
61
12
22
13
23
33
43

NCSドメイン領域:
Dom-IDComponent-IDEns-IDSelection details
111chain A and (resseq 5:263 )
211chain B and (resseq 5:263 )
311chain C and (resseq 5:263 )
411chain D and (resseq 5:263 )
511chain E and (resseq 5:263 )
611chain F and (resseq 5:263 )
112chain K and (resseq 0:25 or resseq 27:74 or resseq 77:125 )
212chain L and (resseq 0:25 or resseq 27:74 or resseq 77:125 )
113chain G and (resseq 3:25 or resseq 27:74 or resseq 77:125 )
213chain H and (resseq 3:25 or resseq 27:74 or resseq 77:125 )
313chain I and (resseq 3:25 or resseq 27:74 or resseq 77:125 )
413chain J and (resseq 3:25 or resseq 27:74 or resseq 77:125 )

NCSアンサンブル:
ID
1
2
3

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要素

#1: タンパク質
Ricin


分子量: 29216.932 Da / 分子数: 6 / 断片: UNP residues 39-298 / 由来タイプ: 組換発現 / 由来: (組換発現) Ricinus communis (トウゴマ) / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: P02879, rRNA N-glycosylase
#2: 抗体
VHH single chain antibody E1


分子量: 13988.741 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)
#3: 化合物
ChemComp-SO4 / SULFATE ION / 硫酸ジアニオン


分子量: 96.063 Da / 分子数: 20 / 由来タイプ: 合成 / : SO4
#4: 化合物 ChemComp-CL / CHLORIDE ION / クロリド


分子量: 35.453 Da / 分子数: 3 / 由来タイプ: 合成 / : Cl
#5: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 26 / 由来タイプ: 天然 / : H2O
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: 4.99 Å3/Da / 溶媒含有率: 75.35 %
結晶化温度: 298 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 7.5 / 詳細: 1.45 M Ammonium Sulfate, 25% glycerol

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データ収集

回折平均測定温度: 100 K
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: ADSC QUANTUM 315 / 検出器: CCD / 日付: 2014年2月15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
Reflection twinOperator: -k,-h,-l / Fraction: 0.017
反射解像度: 2.93→49.681 Å / Num. obs: 109638 / % possible obs: 99.8 % / 冗長度: 5.8 % / Rmerge(I) obs: 0.2 / Rpim(I) all: 0.118 / Rrim(I) all: 0.219 / Χ2: 1.233 / Net I/av σ(I): 7.368 / Net I/σ(I): 2.4 / Num. measured all: 640340
反射 シェル

Diffraction-ID: 1 / Rejects: _

解像度 (Å)冗長度 (%)Num. unique allCC1/2Rpim(I) allΧ2% possible allRmerge(I) obsRrim(I) all
2.98-3.15.654590.5620.9730.78299.9
2.98-3.035.254180.5850.90.80899.6
3.03-3.094.854390.6220.8540.86999.8
3.09-3.165.354660.7440.7050.873100
3.16-3.226.254300.8360.5680.918100
3.22-3.36.454580.9210.4490.932100
3.3-3.386.354480.9250.3560.9421000.8290.904
3.38-3.476.354800.9540.2870.991000.6710.731
3.47-3.58654650.9640.2391.05199.90.5410.592
3.58-3.695.654500.9680.2311.10499.90.4990.551
3.69-3.826.154680.9860.1471.08599.90.3330.365
3.82-3.986.254700.9870.1241.23299.90.2860.312
3.98-4.165.954700.990.1071.3211000.2410.264
4.16-4.385.454750.9890.0961.57399.70.2040.226
4.38-4.654.854650.9910.0861.77699.70.1710.192
4.65-5.016.355110.9940.0711.75899.90.1640.179
5.01-5.516.655140.9950.0681.6321000.1610.175
5.51-6.316.155480.990.0711.5641000.1610.176
6.31-7.946.255510.9960.0471.46799.90.1070.117
7.94-505.656530.9960.0321.89798.90.0720.079

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位相決定

位相決定手法: 分子置換
Phasing MRModel details: Phaser MODE: MR_AUTO
最高解像度最低解像度
Rotation3.5 Å29.73 Å
Translation3.5 Å29.73 Å

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解析

ソフトウェア
名称バージョン分類
PHENIX1.7.1_743精密化
SCALEPACKデータスケーリング
PHASER2.5.6位相決定
PDB_EXTRACT3.15データ抽出
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: 3.1→49.681 Å / 交差検証法: FREE R-VALUE / σ(F): 1.97 / 位相誤差: 37.1 / 立体化学のターゲット値: TWIN_LSQ_F
Rfactor反射数%反射
Rfree0.2771 4748 5.1 %
Rwork0.2154 --
obs0.2177 93146 99.84 %
溶媒の処理減衰半径: 0.83 Å / VDWプローブ半径: 1.1 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL / Bsol: 66.662 Å2 / ksol: 0.342 e/Å3
原子変位パラメータ
Baniso -1Baniso -2Baniso -3
1-23.6244 Å2-0 Å2-0 Å2
2--2.0402 Å2-0 Å2
3----25.6646 Å2
精密化ステップサイクル: LAST / 解像度: 3.1→49.681 Å
タンパク質核酸リガンド溶媒全体
原子数17941 0 103 26 18070
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.01618467
X-RAY DIFFRACTIONf_angle_d1.81825080
X-RAY DIFFRACTIONf_dihedral_angle_d18.2096682
X-RAY DIFFRACTIONf_chiral_restr0.1132752
X-RAY DIFFRACTIONf_plane_restr0.0083285
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDタイプRms dev position (Å)
11A2046X-RAY DIFFRACTIONPOSITIONAL
12B2046X-RAY DIFFRACTIONPOSITIONAL0.062
13C2046X-RAY DIFFRACTIONPOSITIONAL0.108
14D2046X-RAY DIFFRACTIONPOSITIONAL0.062
15E2024X-RAY DIFFRACTIONPOSITIONAL0.094
16F2046X-RAY DIFFRACTIONPOSITIONAL0.071
21K961X-RAY DIFFRACTIONPOSITIONAL
22L961X-RAY DIFFRACTIONPOSITIONAL0.087
31G907X-RAY DIFFRACTIONPOSITIONAL
32H907X-RAY DIFFRACTIONPOSITIONAL0.065
33I900X-RAY DIFFRACTIONPOSITIONAL0.064
34J907X-RAY DIFFRACTIONPOSITIONAL0.065
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.1003-3.15380.42272390.28554386X-RAY DIFFRACTION95
3.1538-3.21110.37122440.28454380X-RAY DIFFRACTION95
3.2111-3.27280.36592260.28074388X-RAY DIFFRACTION95
3.2728-3.33950.37251920.26484443X-RAY DIFFRACTION96
3.3395-3.41210.35522410.26214380X-RAY DIFFRACTION95
3.4121-3.49140.33132180.25194413X-RAY DIFFRACTION95
3.4914-3.57860.34852590.24044377X-RAY DIFFRACTION94
3.5786-3.67530.31322290.23034370X-RAY DIFFRACTION95
3.6753-3.78330.32572450.22244406X-RAY DIFFRACTION95
3.7833-3.90530.2912430.21454395X-RAY DIFFRACTION95
3.9053-4.04470.23832190.2044418X-RAY DIFFRACTION95
4.0447-4.20630.2482250.19964423X-RAY DIFFRACTION95
4.2063-4.39740.24842470.18814379X-RAY DIFFRACTION94
4.3974-4.62880.21542770.16854369X-RAY DIFFRACTION94
4.6288-4.91810.20222370.17754395X-RAY DIFFRACTION95
4.9181-5.29660.28472240.18634465X-RAY DIFFRACTION95
5.2966-5.82750.22312050.19894477X-RAY DIFFRACTION96
5.8275-6.66570.27822300.2234472X-RAY DIFFRACTION95
6.6657-8.37930.27972570.19184468X-RAY DIFFRACTION94
8.3793-35.13420.23732450.20774561X-RAY DIFFRACTION94
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)
11.9241-0.3945-1.391.92650.15751.443-0.44-0.80590.17480.32840.4480.2567-0.0037-0.60110.0030.47730.27050.00721.5219-0.02770.4708-25.5199-52.3869-59.744
23.4133-0.6615-0.69642.3591-0.44250.412-0.2666-0.09170.1648-0.08550.19840.239-0.1731-0.62550.06190.4290.2604-0.1251.4416-0.20580.4184-23.408-46.861-70.4737
30.050.26790.25591.47971.65213.24240.0032-0.67540.23720.2720.1382-0.2544-0.6408-0.4061-0.05670.86130.5305-0.22851.7634-0.36370.6856-28.3298-28.6692-55.9643
40.57430.8139-0.98142.4255-1.15182.0677-0.0683-0.49550.24650.41930.1434-0.1157-0.30520.0499-0.02650.77020.5276-0.09261.9206-0.31210.5725-27.162-37.8493-48.0592
55.3015-2.45140.71463.03180.53610.5432-0.5885-0.23520.08320.62850.06860.1258-0.7471.65280.59780.795-0.0558-0.10841.39170.01590.7923-23.8157-55.1996-93.1417
63.2281-1.1533-1.34213.42523.35593.3039-0.08090.96850.3169-0.7825-0.00810.3738-1.4439-1.24910.11860.8882-0.3184-0.20891.65940.32370.6163-21.3006-44.0798-114.436
70.18930.7940.09493.32890.39790.0475-0.2894-0.0969-0.3090.69380.69360.2043-0.211-1.824-0.37761.13360.2086-0.23462.2423-0.1190.8377-30.5635-50.5016-94.4122
85.41883.5098-5.45912.273-3.53575.49930.1073-0.3906-0.14990.37450.0016-0.099-0.305-0.2907-0.10960.73470.2753-0.18431.8322-0.08330.5529-22.4877-42.6568-95.942
92.2744-0.8974-2.68040.54581.17283.2276-0.4648-0.56530.65310.256-0.0268-0.0132-0.3741-0.47560.4470.90530.4088-0.29951.4704-0.05540.6529-17.3802-39.5924-96.609
105.21375.8726-1.00412.0002-5.68564.6989-0.8671-0.17180.3382-0.44750.29770.1111-0.5958-1.43920.51990.83240.1323-0.10841.3064-0.08320.5632-30.7826-36.1875-94.5672
111.4795-2.85641.89957.9172-0.55786.46420.1119-0.21370.2083-0.011-0.56860.7747-0.7165-1.49380.48860.69260.3894-0.06341.8950.040.589-32.4292-41.205-100.0573
121.2679-2.30761.33824.5918-3.84716.4986-0.5135-0.00680.7539-2.07230.41162.10780.9154-2.1535-0.05560.9003-0.1335-0.3521.79010.00650.724-30.3317-44.404-103.327
132.65130.24080.28571.34341.241.1457-0.26030.57290.4041-0.55630.1730.2666-0.743-0.15560.21230.89230.3227-0.26421.16250.0090.4025-22.4569-41.3079-96.6631
149.63532.0468-2.2872.03150.2166.6534-1.2598-1.8710.92060.91240.7745-0.0726-0.37190.19790.46350.81710.3117-0.16371.37460.01070.6561-22.5478-37.2432-86.3963
150.73240.2185-2.24863.2759-2.8918.437-0.4196-0.4212-0.08120.0433-0.1005-0.47971.39881.43580.610.8847-0.03160.10661.6850.17570.464-19.453-47.3096-98.2721
163.2564-0.1169-1.72851.59750.1823.7511-0.1591-0.18340.01210.24660.23680.16820.1985-0.5653-0.03080.50140.17920.1950.8081-0.04210.1437.2001-68.1589-60.1948
173.9682-0.2914-1.57161.8455-0.01531.7794-0.2753-0.0173-0.17530.02430.29550.06960.097-0.1905-0.00730.2742-0.15020.20180.69710.10070.211111.0557-76.5615-71.9316
182.1145-0.54752.37066.02081.39866.249-0.10350.1344-0.20780.20230.54220.31930.0909-1.0685-0.23250.3940.05180.20710.65560.09790.454914.2463-85.8782-63.2492
191.63821.9506-1.73772.7217-1.68053.1627-0.4185-0.6026-0.33480.78670.27140.24480.9812-0.22450.47590.67580.0970.19671.12490.27540.458613.7795-91.0179-51.3331
202.2025-0.20710.0322.2131-1.28950.755-0.207-0.3094-0.0187-0.4155-0.1957-0.2602-0.54150.41190.27950.6858-0.29760.09780.9848-0.02180.34279.0559-71.3161-102.1928
210.16790.1246-0.02360.0919-0.01690.0030.11410.06160.0793-0.20320.1339-0.1391-0.12770.2823-0.02950.84780.19220.22930.9092-0.11540.369317.1715-68.0188-85.7994
224.66530.02915.81282.0969-0.3457.3101-0.0034-0.6434-0.032-0.26830.02580.1805-0.7762-0.7934-0.02460.74550.03240.10720.8936-0.12120.35434.5717-80.573-96.0045
239.64141.09583.81841.99933.95268.31940.03590.0023-0.00190.16670.24970.47650.3327-0.5858-0.21820.5843-0.31740.14560.6559-0.12320.48615.9578-85.0432-94.1978
248.8249-3.75735.45152.5524-2.85296.4024-0.76980.12310.7216-0.3917-0.13950.4183-0.4521-0.18650.8470.3854-0.03490.04810.8793-0.11510.310218.0357-79.6439-99.1012
252.7575-0.7096-1.90451.58991.57863.1087-0.0395-0.31050.0679-0.97290.3575-0.6236-1.26760.7881-0.4060.6944-0.41070.13641.1664-0.11850.401415.3655-76.8068-102.9554
262.7293-0.36093.09020.1875-0.68168.6619-0.33230.06-0.38740.13370.13560.30670.2244-0.67590.20790.6831-0.07550.20770.9021-0.07620.31376.2605-78.7454-95.3995
271.58880.28470.02373.4939-1.6363.86080.3760.3380.433-0.4259-0.1062-0.2912-0.81990.5762-0.22460.706-0.08730.27860.88540.19530.438544.273-103.1702-29.0149
283.3348-0.57-0.73454.7937-1.26332.03750.25630.20020.2208-0.07110.14720.0967-0.57230.4839-0.33820.5730.01610.13870.86960.10960.214639.3165-106.5925-18.8055
295.40790.7763.45652.28530.74784.51350.2204-0.05130.3891-0.33080.02280.2717-0.8426-0.6483-0.25710.97780.25920.26580.86390.2510.541723.9905-99.4354-32.3137
303.3134-0.50851.65242.7959-2.44022.5835-0.5949-0.1434-0.0120.79630.6802-0.1896-0.6408-0.4827-0.10090.9102-0.24610.05481.433-0.16060.540339.6891-104.312917.0257
318.36270.2757-0.77125.1409-4.70174.64430.76640.37231.12190.92780.30770.1499-1.62230.8892-1.12811.4562-0.0230.26990.9405-0.0840.566537.5488-102.30093.2057
322.3232-3.39014.50924.9467-6.57988.75170.44810.2533-0.4016-0.9075-0.13190.24930.46630.9433-0.35960.76480.25950.20530.7009-0.06540.720331.2321-111.66947.6196
332.1431.1407-2.80065.6112-6.26438.21360.3944-0.5440.5840.1920.3495-0.0843-0.9426-0.141-0.7171.3509-0.19440.25640.7963-0.07260.568627.6605-98.2835.7232
342.8991-0.23192.52773.57391.23042.809-0.4147-0.6348-0.1680.2185-0.00730.1116-0.2572-0.23840.391.41420.0020.33091.1533-0.08260.824632.6228-96.65111.26
355.6509-4.4205-5.96168.19255.99626.66411.0105-0.9111.02841.00370.0981-0.2684-0.79940.935-1.04611.17130.22280.13371.3671-0.19190.610535.8344-98.763814.537
360.07740.6912-0.50896.1787-4.54563.34350.414-0.49370.4471.04150.61490.8561-0.3474-0.5346-1.0171.1168-0.0770.08961.1122-0.03150.505833.2424-107.17438.8622
376.319-3.3812-3.98977.64151.63167.3464-0.3236-0.17230.2431-0.43250.58650.8303-0.099-1.2804-0.26080.78930.37080.11181.21830.22170.609828.8937-106.4098-2.5287
382.4297-3.46272.17546.814-3.49912.0324-0.11730.4684-0.2271-0.30580.2977-0.7550.9194-0.4321-0.04680.648-0.20330.13370.8610.08140.548138.9061-109.54279.3878
391.0749-0.46770.07070.97450.31571.86110.19650.0868-0.2195-0.12740.1512-0.07380.52610.736-0.2090.68950.5398-0.191.4857-0.19980.400162.8144-137.6327-24.072
402.424-0.2928-0.57570.58670.09961.4355-0.0335-0.3167-0.2674-0.0065-0.0316-0.05090.13860.62490.03180.83860.6788-0.18271.7236-0.31010.638780.4382-143.1704-32.8389
416.01863.65213.72399.49273.48755.87710.2972-0.1698-0.0131.17560.91610.21590.99670.6254-1.10440.69280.38010.03361.98150.04690.618964.8297-138.885916.7006
420.0340.28660.31332.43342.68883.03290.27010.7353-0.2773-1.738-0.11280.98281.2442-0.0827-0.17311.71230.1391-0.30281.89250.27241.027461.7824-146.6571-2.6055
430.76831.56290.99997.12565.82095.56640.18880.8098-0.2247-0.1964-0.0357-0.4020.49081.4358-0.2151.0540.6396-0.12772.352-0.05810.657871.9992-133.51127.0938
443.5699-3.013-1.6616.1662-1.23.25760.1306-1.0221-0.1276-0.1863-0.49250.4857-0.25190.21210.3041.24490.7423-0.25122.5968-0.29740.884677.3552-143.76128.2268
452.9209-0.068-0.29041.3306-0.21650.62730.3176-1.1882-0.3515-0.2746-0.6815-0.0008-0.1136-1.12470.10571.07120.5632-0.20011.68950.10540.667167.6224-147.174811.0836
460.87241.30480.71957.07326.79688.0803-0.0247-0.24710.0224-0.10350.4435-0.4397-0.30030.5472-0.39010.85310.5064-0.02532.2648-0.08190.580971.231-134.078813.4011
472.0473-0.2137-0.26571.7724-0.2010.0644-0.3714-0.4256-0.02520.13490.4655-0.487-0.12510.232-0.17261.1270.8102-0.17632.3622-0.43680.85874.3191-140.2974-4.8832
483.62610.15675.7073.7169-0.21829.04060.2841-0.1177-0.21380.117-0.01140.1327-0.0536-0.5908-0.13191.06230.3687-0.20831.86540.04450.561766.0119-134.6057-0.0593
493.36493.06583.43428.37255.20584.27790.0752-0.20990.23430.7763-0.3205-0.0593-0.0703-0.31070.22461.04470.1016-0.2112.0826-0.43650.734867.9406-131.153420.6585
501.7803-0.39120.14070.8450.68352.8672-0.0453-0.6759-0.03080.19130.18230.05110.2171-0.4134-0.04480.42030.2815-0.0520.44220.02310.158342.0135-52.4167-59.4743
513.0593-1.82980.18963.8186-0.55042.015-0.1501-0.2845-0.01870.03320.0579-0.10940.1455-0.13910.0670.35810.2554-0.04290.2299-0.07410.15149.7532-50.0169-70.1384
521.7994-0.10560.59011.1826-0.19330.30460.04470.0570.49860.0519-0.01240.0258-0.0979-0.1297-0.09320.28930.3389-0.05780.3272-0.06140.306537.9558-44.007-69.0335
531.2205-0.40920.30321.90790.68662.6978-0.2438-0.35370.4190.02240.011-0.0328-0.2858-0.00840.19330.45140.3573-0.19220.5915-0.25880.411838.4332-32.0812-56.2862
541.17050.88640.83970.70430.41132.10110.2686-0.1038-0.52680.09190.2116-0.82280.49120.2518-0.34720.4383-0.0322-0.22740.1535-0.01350.531744.5828-55.8729-92.0495
558.8119-3.29733.16652.6561-0.79491.2448-0.25350.79940.2746-1.0275-0.3573-0.0205-0.096-0.39510.53810.9021-0.0833-0.04670.80690.00960.234645.2845-44.1625-114.095
563.23661.38440.18772.58520.32280.9060.1787-0.5101-0.16710.36260.0869-0.24640.6932-0.35780.04750.3106-0.023-0.23710.1794-0.03010.355436.786-51.4551-92.729
573.0227-0.9635-3.581.90640.33044.64850.0205-0.28870.4376-0.0578-0.1633-0.24860.00090.4419-0.1260.03390.0098-0.01720.1726-0.04350.415247.9848-40.9889-96.2162
581.2267-0.4155-0.09140.63530.90772.6924-0.06480.10810.2442-0.25080.11350.1131-0.4384-0.1866-0.0390.174-0.1634-0.08170.22990.07660.344639.6771-40.807-97.7015
594.18890.30852.65067.0022-2.4412.6724-0.1394-0.5121.02550.0096-0.20460.1761-0.8074-0.11710.22940.3373-0.0498-0.05040.1467-0.06230.391544.471-37.1785-86.3161
600.8868-0.0916-0.8510.33430.05860.8190.04350.23030.1309-0.0718-0.0863-0.14830.0010.23620.16190.02530.0284-0.05780.25420.00360.348.0116-47.3749-98.1868
611.8558-0.8615-1.33512.95561.50163.05350.20060.402-0.2274-0.22340.10270.1170.8027-0.2069-0.16670.70040.286-0.29070.4768-0.11970.35467.9903-18.0217-29.1911
621.2847-0.77070.20661.34380.24811.85790.10560.0248-0.14920.1250.1309-0.06220.44310.26690.04820.33390.5047-0.06220.2508-0.1880.096412.9701-14.6891-18.9652
633.2592-1.4221-1.43871.29091.79652.9556-0.2444-0.4381-0.10850.44610.2685-0.12660.28530.47960.10920.71060.4806-0.1630.6979-0.21450.359925.0362-21.9899-25.3153
643.418-0.8683-2.79383.58622.85453.6482-0.0123-0.3294-0.0798-0.02140.3192-0.5630.14530.8227-0.37170.76030.3917-0.11890.7442-0.32490.453330.1455-21.7117-37.2684
653.5216-3.71442.55895.0768-4.17163.72990.88071.285-0.946-1.62750.25420.9469-0.30930.0508-1.09920.81490.0969-0.06960.9844-0.16780.46595.6868-16.35174.3247
667.416-0.3506-2.75046.0029-0.5071.08780.5999-0.99380.0870.93980.0944-0.33991.28281.1345-0.59661.37620.24870.09631.3319-0.02190.373417.0003-14.459225.309
673.51340.5316-0.42333.4676-0.81650.4640.53280.7252-0.3747-1.05990.44910.58981.6663-0.5161-0.9481.56510.1817-0.1010.6260.18390.53939.7072-23.22034.3439
682.7262-1.6925-1.95875.0265.93567.00960.0497-0.0093-0.1055-0.6190.3868-0.5877-0.00250.7526-0.47920.67030.3548-0.06930.8748-0.24030.346919.7484-11.77987.3252
696.0911-3.7348-0.53676.81473.34134.3928-0.4926-0.70890.01410.50590.78-0.07350.26510.7472-0.06991.03790.6288-0.18480.9648-0.12610.518724.5257-23.14165.4249
703.2571-1.89930.14053.25122.16027.15170.1728-0.7379-0.27270.38460.1971-0.35031.76451.6159-0.37141.2820.3426-0.2481.0035-0.08560.482919.6789-20.439814.7643
710.6460.4951-0.48940.3793-0.37480.37090.1825-0.2686-0.04370.09930.04970.0564-0.19090.1860.03770.64050.3637-0.15940.6672-0.2160.312417.1899-16.80790.8664
727.01980.4493.06411.7727-1.7053.40940.36780.2801-0.3853-0.2597-0.2206-0.12460.46150.7089-0.10270.56440.3696-0.22690.9805-0.30580.520923.406-15.2592-2.6209
739.30690.51017.22298.738-1.026.9115-0.2225-0.18130.41990.1938-0.14131.1537-0.4989-1.16980.36250.39460.2634-0.14290.5087-0.10940.514111.8183-13.4511.6591
742.01591.8919-2.08438.90921.71034.0394-0.2936-0.2320.32120.0686-0.2379-0.1359-0.66060.96530.41460.96540.2383-0.27050.6902-0.15110.432315.6687-9.612720.6786
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resseq 5:97)
2X-RAY DIFFRACTION2chain 'A' and (resseq 98:201)
3X-RAY DIFFRACTION3chain 'A' and (resseq 202:247)
4X-RAY DIFFRACTION4chain 'A' and (resseq 248:263)
5X-RAY DIFFRACTION5chain 'G' and (resseq 0:7)
6X-RAY DIFFRACTION6chain 'G' and (resseq 8:16)
7X-RAY DIFFRACTION7chain 'G' and (resseq 17:32)
8X-RAY DIFFRACTION8chain 'G' and (resseq 33:39)
9X-RAY DIFFRACTION9chain 'G' and (resseq 40:51)
10X-RAY DIFFRACTION10chain 'G' and (resseq 52:64)
11X-RAY DIFFRACTION11chain 'G' and (resseq 65:77)
12X-RAY DIFFRACTION12chain 'G' and (resseq 78:84)
13X-RAY DIFFRACTION13chain 'G' and (resseq 85:103)
14X-RAY DIFFRACTION14chain 'G' and (resseq 104:112)
15X-RAY DIFFRACTION15chain 'G' and (resseq 113:125)
16X-RAY DIFFRACTION16chain 'B' and (resseq 5:122)
17X-RAY DIFFRACTION17chain 'B' and (resseq 123:193)
18X-RAY DIFFRACTION18chain 'B' and (resseq 194:219)
19X-RAY DIFFRACTION19chain 'B' and (resseq 220:264)
20X-RAY DIFFRACTION20chain 'H' and (resseq -1:23)
21X-RAY DIFFRACTION21chain 'H' and (resseq 24:32)
22X-RAY DIFFRACTION22chain 'H' and (resseq 33:51)
23X-RAY DIFFRACTION23chain 'H' and (resseq 52:64)
24X-RAY DIFFRACTION24chain 'H' and (resseq 65:77)
25X-RAY DIFFRACTION25chain 'H' and (resseq 78:84)
26X-RAY DIFFRACTION26chain 'H' and (resseq 85:125)
27X-RAY DIFFRACTION27chain 'C' and (resseq 5:97)
28X-RAY DIFFRACTION28chain 'C' and (resseq 98:193)
29X-RAY DIFFRACTION29chain 'C' and (resseq 194:263)
30X-RAY DIFFRACTION30chain 'I' and (resseq 3:23)
31X-RAY DIFFRACTION31chain 'I' and (resseq 24:39)
32X-RAY DIFFRACTION32chain 'I' and (resseq 40:51)
33X-RAY DIFFRACTION33chain 'I' and (resseq 52:64)
34X-RAY DIFFRACTION34chain 'I' and (resseq 65:77)
35X-RAY DIFFRACTION35chain 'I' and (resseq 78:84)
36X-RAY DIFFRACTION36chain 'I' and (resseq 85:103)
37X-RAY DIFFRACTION37chain 'I' and (resseq 104:112)
38X-RAY DIFFRACTION38chain 'I' and (resseq 113:125)
39X-RAY DIFFRACTION39chain 'D' and (resseq 5:193)
40X-RAY DIFFRACTION40chain 'D' and (resseq 194:263)
41X-RAY DIFFRACTION41chain 'J' and (resseq 3:23)
42X-RAY DIFFRACTION42chain 'J' and (resseq 24:32)
43X-RAY DIFFRACTION43chain 'J' and (resseq 33:51)
44X-RAY DIFFRACTION44chain 'J' and (resseq 52:69)
45X-RAY DIFFRACTION45chain 'J' and (resseq 70:84)
46X-RAY DIFFRACTION46chain 'J' and (resseq 85:99)
47X-RAY DIFFRACTION47chain 'J' and (resseq 100:109)
48X-RAY DIFFRACTION48chain 'J' and (resseq 110:119)
49X-RAY DIFFRACTION49chain 'J' and (resseq 120:125)
50X-RAY DIFFRACTION50chain 'E' and (resseq 5:97)
51X-RAY DIFFRACTION51chain 'E' and (resseq 98:156)
52X-RAY DIFFRACTION52chain 'E' and (resseq 157:193)
53X-RAY DIFFRACTION53chain 'E' and (resseq 194:263)
54X-RAY DIFFRACTION54chain 'K' and (resseq -1:7)
55X-RAY DIFFRACTION55chain 'K' and (resseq 8:17)
56X-RAY DIFFRACTION56chain 'K' and (resseq 18:32)
57X-RAY DIFFRACTION57chain 'K' and (resseq 33:51)
58X-RAY DIFFRACTION58chain 'K' and (resseq 52:103)
59X-RAY DIFFRACTION59chain 'K' and (resseq 104:112)
60X-RAY DIFFRACTION60chain 'K' and (resseq 113:125)
61X-RAY DIFFRACTION61chain 'F' and (resseq 5:97)
62X-RAY DIFFRACTION62chain 'F' and (resseq 98:193)
63X-RAY DIFFRACTION63chain 'F' and (resseq 194:219)
64X-RAY DIFFRACTION64chain 'F' and (resseq 220:264)
65X-RAY DIFFRACTION65chain 'L' and (resseq 0:7)
66X-RAY DIFFRACTION66chain 'L' and (resseq 8:17)
67X-RAY DIFFRACTION67chain 'L' and (resseq 18:32)
68X-RAY DIFFRACTION68chain 'L' and (resseq 33:51)
69X-RAY DIFFRACTION69chain 'L' and (resseq 52:64)
70X-RAY DIFFRACTION70chain 'L' and (resseq 65:91)
71X-RAY DIFFRACTION71chain 'L' and (resseq 92:103)
72X-RAY DIFFRACTION72chain 'L' and (resseq 104:112)
73X-RAY DIFFRACTION73chain 'L' and (resseq 113:119)
74X-RAY DIFFRACTION74chain 'L' and (resseq 120:125)

+
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。

-
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