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- PDB-7dlv: shrimp dUTPase in complex with Stl -

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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: 7dlv
タイトルshrimp dUTPase in complex with Stl
要素
  • Orf20
  • shrimp dUTPase
キーワードHYDROLASE / dUTPase / Stl / dUTP / shrimp / Penaeus vannamei / Staphylococcus aureus
機能・相同性Helix-turn-helix / Helix-turn-helix XRE-family like proteins / Cro/C1-type HTH domain profile. / Cro/C1-type helix-turn-helix domain / Lambda repressor-like, DNA-binding domain superfamily / DNA binding / Orf20
機能・相同性情報
生物種Penaeus vannamei (甲殻類)
Staphylococcus aureus (黄色ブドウ球菌)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 2.525 Å
データ登録者Ma, Q. / Wang, F.
資金援助 中国, 2件
組織認可番号
National Natural Science Foundation of China (NSFC)31572660 中国
National Natural Science Foundation of China (NSFC)31872600 中国
引用ジャーナル: Int.J.Biol.Macromol. / : 2021
タイトル: Structural basis of staphylococcal Stl inhibition on a eukaryotic dUTPase.
著者: Wang, F. / Liu, C. / Wang, C. / Wang, Y. / Zang, K. / Wang, X. / Liu, X. / Li, S. / Li, F. / Ma, Q.
履歴
登録2020年11月30日登録サイト: PDBJ / 処理サイト: PDBJ
改定 1.02021年12月1日Provider: repository / タイプ: Initial release
改定 1.12021年12月8日Group: Derived calculations
カテゴリ: pdbx_struct_assembly / pdbx_struct_assembly_gen ...pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop / pdbx_struct_oper_list
Item: _pdbx_struct_assembly_gen.assembly_id / _pdbx_struct_assembly_gen.oper_expression
改定 1.22023年11月29日Group: Data collection / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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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: shrimp dUTPase
B: shrimp dUTPase
C: shrimp dUTPase
D: Orf20
E: Orf20
F: Orf20
G: shrimp dUTPase
H: shrimp dUTPase
I: shrimp dUTPase
J: Orf20
K: Orf20
L: Orf20
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)207,53623
ポリマ-206,59112
非ポリマー94511
00
1
A: shrimp dUTPase
B: shrimp dUTPase
C: shrimp dUTPase
D: Orf20
E: Orf20
F: Orf20
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)103,72011
ポリマ-103,2966
非ポリマー4245
0
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area19760 Å2
ΔGint-145 kcal/mol
Surface area34570 Å2
手法PISA
2
G: shrimp dUTPase
H: shrimp dUTPase
I: shrimp dUTPase
J: Orf20
K: Orf20
L: Orf20
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)103,81612
ポリマ-103,2966
非ポリマー5206
0
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area19150 Å2
ΔGint-146 kcal/mol
Surface area34880 Å2
手法PISA
単位格子
Length a, b, c (Å)74.702, 135.884, 135.627
Angle α, β, γ (deg.)90.000, 105.790, 90.000
Int Tables number4
Space group name H-MP1211
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID詳細
11(chain D and resid 13 through 153)
21chain E
31(chain F and resid 13 through 153)
41(chain J and resid 13 through 153)
51(chain K and resid 13 through 153)
61(chain L and resid 13 through 153)
12(chain A and resid 69 through 195)
22(chain B and resid 69 through 195)
32(chain C and resid 69 through 195)
42(chain G and resid 69 through 195)
52chain H
62(chain I and resid 69 through 195)

NCSドメイン領域:

Component-ID: 1

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11HISHISSERSER(chain D and resid 13 through 153)DD13 - 15315 - 155
21HISHISSERSERchain EEE13 - 15315 - 155
31HISHISSERSER(chain F and resid 13 through 153)FF13 - 15315 - 155
41HISHISSERSER(chain J and resid 13 through 153)JJ13 - 15315 - 155
51HISHISSERSER(chain K and resid 13 through 153)KK13 - 15315 - 155
61HISHISSERSER(chain L and resid 13 through 153)LL13 - 15315 - 155
12LYSLYSMETMET(chain A and resid 69 through 195)AA69 - 1958 - 134
22LYSLYSMETMET(chain B and resid 69 through 195)BB69 - 1958 - 134
32LYSLYSMETMET(chain C and resid 69 through 195)CC69 - 1958 - 134
42LYSLYSMETMET(chain G and resid 69 through 195)GG69 - 1958 - 134
52LYSLYSMETMETchain HHH69 - 1958 - 134
62LYSLYSMETMET(chain I and resid 69 through 195)II69 - 1958 - 134

NCSアンサンブル:
ID
1
2

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要素

#1: タンパク質
shrimp dUTPase


分子量: 16304.496 Da / 分子数: 6 / 由来タイプ: 組換発現 / 由来: (組換発現) Penaeus vannamei (甲殻類) / 発現宿主: Escherichia coli (大腸菌)
#2: タンパク質
Orf20


分子量: 18127.365 Da / 分子数: 6 / 由来タイプ: 組換発現
由来: (組換発現) Staphylococcus aureus (黄色ブドウ球菌)
発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: Q9F0J8
#3: 化合物
ChemComp-SO4 / SULFATE ION / 硫酸ジアニオン


分子量: 96.063 Da / 分子数: 9 / 由来タイプ: 合成 / : SO4
#4: 化合物 ChemComp-CA / CALCIUM ION / カルシウムジカチオン


分子量: 40.078 Da / 分子数: 2 / 由来タイプ: 合成 / : Ca
研究の焦点であるリガンドがあるかN

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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: 3.21 Å3/Da / 溶媒含有率: 61.64 %
結晶化温度: 293 K / 手法: 蒸気拡散法, シッティングドロップ法
詳細: The crystals were obtained after four days in drops mixing equal volumes (1.5 ul) of protein solution (10 mg/ml) and reservoir solution (100 mM Bis-Tris pH 6.0, 2.4 M ammonium sulphate).

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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: SSRF / ビームライン: BL19U1 / 波長: 0.9788 Å
検出器タイプ: DECTRIS PILATUS 6M / 検出器: PIXEL / 日付: 2019年11月11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: 0.9788 Å / 相対比: 1
Reflection twinOperator: -h,-k,h+l / Fraction: 0.48
反射解像度: 2.525→94.13 Å / Num. obs: 86385 / % possible obs: 98.8 % / 冗長度: 6.7 % / CC1/2: 0.999 / Rpim(I) all: 0.024 / Rrim(I) all: 0.062 / Rsym value: 0.057 / Net I/σ(I): 22.6
反射 シェル解像度: 2.525→2.568 Å / 冗長度: 7.1 % / Mean I/σ(I) obs: 2.1 / Num. unique obs: 4290 / CC1/2: 0.796 / Rpim(I) all: 0.297 / Rrim(I) all: 0.801 / Rsym value: 0.743 / % possible all: 98.3

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解析

ソフトウェア
名称バージョン分類
PHENIX1.13_2998精密化
PDB_EXTRACT3.27データ抽出
XDSMar 15, 2019 (BUILT 20190315)データ削減
Aimless0.5.29データスケーリング
PHASER2.7.17位相決定
精密化構造決定の手法: 分子置換
開始モデル: 6H49
解像度: 2.525→94.126 Å / 交差検証法: THROUGHOUT / σ(F): 35.97 / 位相誤差: 23 / 立体化学のターゲット値: TWIN_LSQ_F
Rfactor反射数%反射Selection details
Rfree0.2009 4463 5.17 %random selection
Rwork0.1716 81880 --
obs0.1773 86385 98.84 %-
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL
原子変位パラメータBiso max: 168.62 Å2 / Biso mean: 64.6351 Å2 / Biso min: 25.48 Å2
精密化ステップサイクル: final / 解像度: 2.525→94.126 Å
タンパク質核酸リガンド溶媒全体
原子数13392 0 47 0 13439
Biso mean--74.29 --
残基数----1664
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDRmsタイプ
11D2304X-RAY DIFFRACTION5.712TORSIONAL
12E2304X-RAY DIFFRACTION5.712TORSIONAL
13F2304X-RAY DIFFRACTION5.712TORSIONAL
14J2304X-RAY DIFFRACTION5.712TORSIONAL
15K2304X-RAY DIFFRACTION5.712TORSIONAL
16L2304X-RAY DIFFRACTION5.712TORSIONAL
21A2544X-RAY DIFFRACTION5.712TORSIONAL
22B2544X-RAY DIFFRACTION5.712TORSIONAL
23C2544X-RAY DIFFRACTION5.712TORSIONAL
24G2544X-RAY DIFFRACTION5.712TORSIONAL
25H2544X-RAY DIFFRACTION5.712TORSIONAL
26I2544X-RAY DIFFRACTION5.712TORSIONAL
LS精密化 シェル

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 20

解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.5255-2.56910.34922100.28124078428893
2.5691-2.61580.26782090.27254058426794
2.6158-2.66610.29542080.25824111431994
2.6661-2.72050.27072360.26093984422093
2.7205-2.77960.27662350.26324088432393
2.7796-2.84430.31752100.23814032424294
2.8443-2.91540.26592380.23624078431693
2.9154-2.99420.28482450.22574041428693
2.9942-3.08230.24731920.21754113430594
3.0823-3.18180.24021950.20984088428394
3.1818-3.29540.22962280.19634100432894
3.2954-3.42730.25762180.19364103432194
3.4273-3.58320.22282030.18914132433594
3.5832-3.7720.19832140.18124106432094
3.772-4.00820.1922110.16434092430394
4.0082-4.31740.17722080.14574106431494
4.3174-4.75140.16132500.13084108435894
4.7514-5.43780.14072240.13944158438294
5.4378-6.84650.19252510.15454116436794
6.8465-42.86330.17092260.15174188441494
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)
19.87351.00423.78366.20452.27525.23390.3937-0.342-0.07960.7086-0.81010.45391.0914-1.2660.14960.6662-0.04090.02050.3826-0.02260.294532.8724-10.3734175.7119
27.87070.87610.11397.7927-1.85082.20130.1707-0.24220.4291-0.0957-0.12350.3913-0.2967-0.3122-0.03340.51480.1256-0.03610.3662-0.01070.245934.4893-1.0654171.0428
33.53541.43350.26762.99141.21464.7480.00830.3651-0.15360.867-0.2137-0.4212-0.3839-0.60380.21250.6661-0.0924-0.1330.4296-0.07410.420150.50818.2049170.8997
42.94151.6972-1.88663.6387-3.74417.12710.1732-0.00410.12210.5114-0.01760.0127-0.3540.0234-0.14710.43250.095-0.09860.39090.00530.264643.9145-6.6514172.9367
51.41371.0607-1.28259.2623-8.39777.83360.17060.17850.07460.33850.21840.2464-0.7511-0.2547-0.40690.58410.0298-0.02990.4766-0.04250.242844.48640.3222160.011
61.7546-1.5397-1.68675.17085.11345.0875-0.2958-0.156-0.1107-0.2890.431-0.1408-0.3953-0.2652-0.14240.5799-0.0252-0.17530.57320.02430.246745.6629-12.1429172.6444
77.0302-0.1555-2.4074.2615-3.08125.97320.17680.4610.23760.4228-0.3907-1.2174-1.13950.3053-0.04030.5997-0.09660.02510.39430.00570.320953.11155.9631162.539
89.75647.9995-9.34267.6826-9.24241.99750.3974-0.29711.2259-0.5080.7440.9635-1.32150.3726-0.46381.3490.0055-0.00180.4621-0.10020.378444.306210.7759169.9649
92.17211.99611.70367.57514.52192.99690.0624-0.0450.0221-0.26590.29790.50680.1403-0.2346-0.39970.61910.055-0.0570.53360.06730.189538.6606-6.2314164.2925
109.7612-6.6045-6.54574.52864.43424.49170.27610.19830.34820.06210.0967-0.61930.5504-0.1612-0.37010.8120.0329-0.12340.47520.10890.458850.0643-29.4602159.3593
117.086-2.1103-3.48215.7938-0.23048.09340.62740.735-0.26170.6405-0.42230.4451.9311-0.0774-0.36741.416-0.02730.01290.768-0.2670.49252.3123-30.2526142.6959
124.04390.85661.32910.79850.14272.9757-0.21030.51020.0604-0.80480.13190.0628-0.0026-0.1160.0520.9010.0935-0.05120.5543-0.00190.272238.9384-5.3916140.3982
133.36810.19911.03821.87131.81832.167-0.0272-0.00450.3288-0.4801-0.16920.3979-0.1434-0.1290.18280.85440.0299-0.11370.50930.02280.192937.2973-3.8739148.7162
149.0177-5.6321-1.52787.045-1.35164.455-0.2540.18730.2103-0.850.1457-0.62-0.1777-0.16610.10650.6975-0.02440.06650.356-0.03710.346354.8793-4.9606146.6238
155.3212-0.4169-0.59311.35660.52920.77070.39680.61340.0366-0.3525-0.184-0.1654-0.216-0.0423-0.20570.90440.13430.00280.41150.04590.297944.42071.1161146.8166
163.5669-0.8916-1.37382.13430.50340.7311-0.31950.0954-0.2052-0.20220.23590.56830.97080.29950.01870.52-0.0167-0.16390.40680.05050.285935.6779-10.4082161.1295
178.5328-0.00292.87713.838-2.96553.823-0.1577-0.4506-0.7903-0.57180.98560.977-0.2362-0.4191-0.61750.7862-0.09590.0550.720.02470.186846.2783-20.6693182.9089
182.1487-3.3531-2.94147.72973.31686.33560.35760.0756-0.7976-0.5409-0.03490.32010.83580.0894-0.24580.77010.0226-0.0930.40190.0270.364251.9405-30.8061156.1469
192.33283.3129-2.58367.4791-1.03025.6814-0.2098-0.8291-0.56120.62840.3228-1.00290.48381.28920.1590.62150.1844-0.17410.5327-0.05740.483162.946-25.9026158.3134
205.9939-2.959-3.26344.25964.45754.68470.466-0.4561-0.70140.6419-0.55880.3630.21760.44310.22850.59750.0453-0.08710.36750.08910.378751.7533-22.3215166.0379
212.11281.6486-1.59093.1603-4.60027.24080.5747-0.2779-0.4953-1.2993-0.9692-1.71220.4171.14340.37790.5579-0.00460.12090.59910.01940.756768.2674-10.6057155.8069
225.07831.6593-3.62265.1976-1.42434.15450.16670.044-0.0934-0.0184-0.1445-0.44520.61910.0665-0.03980.60910.056-0.10260.31490.03740.278453.49-18.9751153.2135
236.53261.5349-2.70418.00136.85539.2945-0.011-0.2601-0.1175-0.5166-0.13-0.0103-0.6921-0.03190.29530.5235-0.0544-0.02670.50080.02810.255358.0414-5.9672164.3956
243.0962-3.8164-0.67754.71680.55751.1117-0.4359-0.6441-0.41050.10450.5124-0.16090.4839-0.0386-0.04030.96940.0376-0.01880.50140.0260.266351.6498-20.4801147.9888
253.25911.87120.44532.8040.94650.54250.2068-0.1073-0.19670.1031-0.1494-0.49620.16570.2505-0.06840.51350.0072-0.03440.53050.06650.340560.1697-11.0628159.3213
268.6356-7.04925.73727.9071-5.30435.51950.46860.37280.2679-0.924-0.75080.26210.4952-0.37350.12680.94340.0581-0.27880.5454-0.05620.460130.9642-13.1818142.7635
270.2071-0.2933-0.37680.32260.46620.73120.1991.0903-0.2438-0.2382-0.79760.64560.2883-0.16280.29660.82260.1415-0.0991.00320.00640.476220.40871.2131152.5478
287.5072-0.1761-0.45568.15150.58782.22290.0338-0.1758-0.58610.1072-0.00691.3680.0056-0.5346-0.02450.45210.0148-0.00970.3680.10620.592316.21081.4699179.7956
291.3557-1.9321-2.35094.12173.14278.34720.2290.1443-0.0662-0.54370.00960.4062-0.62250.212-0.24240.47090.0156-0.0430.37770.01760.345325.523510.9743167.0736
305.3776-1.2185-3.41542.53312.03378.80920.71910.04621.1051-0.9795-0.0867-0.0094-1.0738-0.2907-0.50440.98170.08960.02120.44320.04340.453527.687117.7457158.5648
313.6183-0.4405-1.09914.6556-0.39640.31520.12120.1726-0.4976-0.0043-0.1520.51730.5342-0.2265-0.06711.5113-0.1435-0.21020.84980.00120.52629.765-20.2271123.717
322.1582-1.55573.36681.0749-2.33144.60340.02130.3491-0.3151-0.2632-0.03780.2047-0.13110.4840.04211.47160.1246-0.06150.6757-0.04770.395746.2616-15.6071125.9787
333.9347-1.09230.1661.3867-1.66953.63420.42550.9936-0.3249-0.6608-0.4987-0.4049-0.10661.00010.0391.07910.16380.07160.78580.00010.453658.3931-16.8655129.593
348.01773.7654-1.00668.2733-0.15625.6046-0.10220.3439-0.8209-0.4470.1309-0.38150.4251-0.0775-0.0090.5955-0.0188-0.13580.3558-0.02420.430960.5465-43.8011173.2815
356.72444.42876.54544.00785.82028.5813-0.43720.21750.5155-1.0205-0.34890.3433-0.9082-0.18240.56150.6175-0.0574-0.13640.3676-0.00440.409955.7961-36.2233169.2908
368.1786-4.81071.54659.2139-5.63053.68030.10310.0677-0.0164-0.2769-0.2779-0.582-0.80520.31650.33790.7816-0.1019-0.03460.3498-0.02050.311368.8373-29.9098173.0596
375.4724-4.82390.06734.1634-0.32.65870.2945-0.272-0.006-0.3396-0.1060.08690.3219-0.3624-0.16220.477-0.0701-0.10740.3394-0.02130.351956.3262-18.9879180.6746
382.0373-2.0553-2.04362.99491.71012.0190.21420.36860.2417-0.2301-0.2326-0.2307-0.11460.32990.07190.4867-0.0302-0.05660.34410.05460.287264.9449-16.7085178.3352
396.83270.55922.77941.1853.14548.94680.2626-0.42060.19420.3644-0.1151-0.04450.36690.4605-0.05030.467-0.0405-0.06450.2908-0.04030.28362.2622-14.1494187.7906
409.91352.64053.28766.54983.67267.1522-0.44860.4135-0.0613-0.7398-0.0962-0.2245-1.27270.04610.54220.62680.01250.00260.2947-0.01510.398824.6381-34.565169.4525
416.43582.9506-3.50896.04722.33726.31680.4331-0.23010.3301-0.4572-0.39571.4581-0.4672-0.3129-0.21170.7220.13570.0110.36470.1250.752413.5358-39.1803171.6966
428.78542.0005-3.83518.27011.27672.6422-0.1058-0.80130.87960.17180.18910.4908-0.35780.2157-0.16230.7269-0.00310.00670.44090.08890.326324.6305-43.1311179.6607
432.87763.8266-0.98916.8683-0.78140.7239-0.02290.13620.0597-0.05640.47340.27450.4397-1.0505-0.58570.6216-0.0712-0.29550.71060.09470.61797.872-54.5187169.799
443.02422.6225-0.03225.71362.51593.54410.4950.33310.3293-0.6309-0.20420.8899-0.5358-0.5260.00830.57940.0936-0.25290.46810.04680.482620.1391-44.8351165.3905
459.51952.5152-6.53055.931-6.46849.1698-0.00420.6832-0.39090.5821-0.2155-0.4136-0.5139-0.78860.06440.6813-0.0159-0.18630.452-0.01570.355426.6945-49.9343171.1533
466.143-3.3433-2.08714.4177-1.83584.0194-0.47030.7990.4451-0.03380.31680.50940.1996-0.5960.27160.5252-0.071-0.10310.34180.00470.444317.8191-59.9548177.9707
473.4559-1.34630.41232.9672-1.38290.6901-0.3673-0.36850.80470.4010.323-0.0907-0.1521-0.29110.26110.95370.1039-0.26980.6088-0.01790.280724.5131-44.9255161.4105
482.5139-2.57390.04144.80150.35223.2640.10940.7446-0.768-0.50870.5050.95080.9106-0.3141-0.49180.6982-0.1287-0.36890.49990.01660.680413.3909-61.386170.9715
492.265-1.89621.52453.1515-3.78585.47680.5266-1.365-0.5974-0.89140.31671.2244-0.5478-1.1055-0.64440.59770.0234-0.0580.67710.18210.63247.5507-51.6192175.7807
509.57416.2638-5.18115.784-5.64976.9847-0.3534-0.04470.2983-0.00880.33750.3829-0.5112-0.2162-0.07450.65160.0384-0.1820.25650.00680.406425.832-47.2536173.6038
514.4318-4.5898-5.16598.38173.83317.3057-0.30180.9057-0.1049-0.451-0.4501-0.08220.08390.04810.48320.8882-0.0282-0.08280.66970.07160.332844.866-52.5315155.7799
523.1928-1.51065.12530.7375-2.48358.3446-0.48430.91520.4207-0.2589-0.6288-0.75220.55561.10480.9580.78780.10350.19730.9410.00940.527555.855-67.1234165.6041
538.42272.2736-3.21067.52-3.96337.35830.0178-0.46230.40340.82530.4368-0.7082-0.46880.1394-0.22390.40050.0478-0.10620.3545-0.07510.301643.1318-54.4585188.9209
546.10660.5711.29544.68921.35180.5931-0.1172-1.1418-0.51350.18760.0919-0.12360.69940.65550.08220.66030.0678-0.05650.41160.05540.236938.809-65.663190.8371
553.75892.2826-1.11012.6484-0.15722.2019-0.319-0.0338-0.0001-0.12850.12620.12440.5859-0.04150.1670.63950.0103-0.09250.2780.01830.356732.6118-67.2838181.9346
566.54662.8131-0.59955.6863-2.70915.3235-0.0524-0.39630.3275-0.0917-0.1088-0.1312-0.17320.1090.1420.43480.0174-0.09050.287-0.00590.296835.6204-55.7061182.6464
574.9829-0.63230.4980.48810.81049.1447-0.05680.3495-0.8040.45370.01920.35-0.5366-0.1465-0.09740.7552-0.063-0.14860.3966-0.01410.341129.6587-71.1019171.4561
584.44813.53844.51418.97738.51888.42070.1261-0.2269-0.1651-0.0040.02950.03030.2804-0.5206-0.13250.4804-0.0275-0.01250.34990.09640.243626.8286-61.4047181.4303
599.67272.94949.021.84293.17628.56520.3275-0.2747-0.58470.0213-0.1743-0.35631.14960.1155-0.38530.88610.0178-0.07130.36510.08950.52131.5197-75.6643183.7608
602.13631.8411-3.08244.9332-3.44424.49870.29290.0273-0.0673-0.148-0.1087-0.30460.0911-0.3013-0.1310.4953-0.0586-0.14490.5048-0.0030.201437.449-59.0779177.6788
615.5659-3.9199-0.17276.96850.45356.02920.70630.05850.045-0.8402-0.27720.7714-0.2729-0.2138-0.15120.7606-0.0573-0.14290.37810.07460.401224.7001-34.7506169.608
624.11911.56581.41853.71513.45253.1321-0.32980.31930.4242-1.6704-0.2230.20570.05650.40830.18291.12150.0017-0.02620.56930.08550.207742.9335-59.5582152.2632
635.2809-1.55321.43021.613-2.47618.098-0.37970.49680.4353-1.49380.66320.3966-0.74320.1674-0.12150.95980.038-0.03780.52380.05010.256734.614-51.0672155.3449
646.82081.3766-5.83090.3788-1.15344.94980.10991.3507-0.5278-0.87190.14190.42710.6351-0.80150.10421.1774-0.0728-0.18340.6381-0.14330.402526.7823-72.1226155.073
650.2592-0.55740.38941.15160.32182.38570.044-0.16740.0301-1.1121-0.35810.1375-0.07330.28210.21471.068-0.037-0.1150.4597-0.060.180139.9131-63.8969160.2897
665.69940.20390.35790.94030.58163.7820.1386-0.46370.1032-0.3268-0.2104-0.45740.0605-0.36880.03151.1836-0.0776-0.20380.4021-0.1335-0.622534.1494-56.7628164.4889
672.0159-1.8068-6.72564.27472.2514.7075-0.36131.2215-0.11-0.09310.11060.23830.1069-0.93930.17160.8658-0.0444-0.23550.5833-0.02250.54720.3655-60.9059160.651
687.00380.9029-1.81561.8247-0.93431.0277-0.19780.44360.0003-0.35360.12070.22720.34510.09660.08110.883-0.0264-0.10880.3608-0.02270.265733.1178-66.1565163.6713
691.0427-0.6961-0.68852.38650.30680.5569-0.11940.2447-0.1566-0.7730.03910.44710.066-0.44440.07040.7668-0.0647-0.14840.49810.03340.299230.8293-60.736156.4127
703.28041.7229-3.40410.9661-1.8663.9288-0.2477-0.4170.52610.29420.1694-0.8498-0.29620.352-0.34620.7020.0249-0.1360.4901-0.04180.226445.1947-54.7726185.5619
717.4231-6.9810.58668.4049-1.53840.6082-0.6988-1.22831.33421.01071.1831-0.68740.13870.0358-0.41870.81920.0888-0.10830.6152-0.10330.530230.4962-44.7314197.3569
722.61261.7885-0.13854.4806-2.62544.44270.1464-0.09980.77310.1713-0.16750.2667-0.20750.30550.01740.51230.0285-0.00480.394-0.0050.71616.6904-21.3529187.2098
736.5504-6.3206-6.14546.36326.48776.98990.8832-0.51660.5108-1.9302-0.6312-0.5575-0.4901-0.019-0.17720.6121-0.0356-0.0570.47450.19280.958113.8291-21.4499177.2155
748.57418.4911-4.77528.6266-5.5378.1879-0.4884-0.4513-1.7515-0.271-0.3119-0.79730.32040.23160.92490.40860.0966-0.0240.5299-0.00210.766121.5147-28.6298184.3061
755.36250.9662-0.43355.6035-0.69757.95840.0161-0.0125-0.1668-0.0295-0.02230.42790.74320.17690.02050.48730.1011-0.03330.40970.08440.52197.9014-34.8652186.2683
765.63040.0817-3.26995.3293.41658.41630.0467-0.0956-0.04180.3526-0.2516-0.09-0.8641-0.0270.15780.51190.067-0.08510.29760.03760.479117.903-42.3316195.6627
772.1046-0.9491-3.24497.16223.1849.1968-0.27750.0731-0.17270.10820.29220.41151.15790.13030.00490.4596-0.0028-0.05760.30840.04530.369521.2769-53.6123188.6143
788.6075-1.5104-5.18067.04911.36626.1745-0.1864-0.106-0.28080.14510.30710.6893-0.2689-0.7571-0.13950.51980.0568-0.00760.46960.12140.41878.729-46.0314194.1662
798.13810.76012.95746.48650.07312.2979-0.5627-0.1490.14540.53740.5293-0.3334-0.48430.1571-0.14450.55840.00290.01940.55670.14580.389110.8344-44.912206.3978
805.7138-3.60680.05395.17112.96318.7811-0.3829-0.44910.06180.64010.22790.01930.4715-0.60350.02640.43510.05180.00680.31790.06460.321315.3906-54.2532198.0783
817.3597-1.785-3.38992.4548-1.3315.82050.07530.01170.84410.15170.0631-0.90210.10170.8037-0.17860.46170.0232-0.09590.5315-0.11460.546161.8615-68.052191.1507
827.6433-0.6529-3.10965.80935.16757.65550.0694-0.9070.31830.46580.191-0.64130.20510.9969-0.17660.47050.0338-0.13110.4386-0.02970.495357.8967-64.0293194.2236
831.1257-1.55522.28952.4064-1.48376.69640.0370.262-0.0532-0.5658-0.0854-0.14540.6520.3064-0.00880.73070.0146-0.06310.4210.00020.278449.2903-75.9187179.6313
844.7406-3.51420.54456.35440.46785.37020.19660.0334-0.7059-0.49070.13410.15350.66460.7329-0.34830.97130.0535-0.04230.5254-0.03460.41249.9259-84.4016172.2461
858.9262-4.02053.95382.5237-3.90388.24510.53650.1151-0.8152-0.8511-0.2950.6417-0.62560.7212-0.23261.75910.0713-0.01630.75290.0776-0.093141.5264-48.9741133.0002
867.6322.2706-0.9252.58871.65031.9778-0.9161-0.5480.6253-0.50790.4318-0.4384-0.92851.42770.69911.1832-0.15070.03191.1230.07650.502847.691-38.7919137.9082
872.81480.45822.62993.2427-1.01035.0933-0.06180.00430.0972-1.04370.3803-0.5476-0.55711.7936-0.08611.3157-0.12620.08871.1052-0.06480.450148.1976-49.0162138.4158
881.41320.22370.43311.8433.06225.3282-0.4719-0.5341-0.52230.1079-0.3073-0.13380.2070.40570.2641.79040.0180.04070.7514-0.048-0.007534.4805-56.6831138.0946
895.68043.56070.85178.24877.75388.78980.06740.43430.8973-1.34640.09390.4317-2.0378-0.6729-0.15941.5724-0.04770.00550.6771-0.02370.31230.8382-52.4946130.2892
901.9746-0.3399-3.13430.9515-1.14398.23010.03120.0519-0.3334-0.57420.01010.1076-0.6525-0.6038-0.07431.1262-0.076-0.20460.54210.06340.421223.4988-44.7581146.5273
912.2642-1.45813.19190.9332-2.44016.86920.07220.36250.0161-1.2239-0.2434-0.00890.136-0.35780.12651.2701-0.1303-0.19110.66880.00880.470120.7883-52.9795142.6661
927.01881.8234-3.91718.54462.36853.5947-0.79891.91220.69531.07120.63720.3711-2.6482-1.21130.35151.51150.2346-0.2911.21840.1450.77516.1104-42.1521133.3162
939.3472-4.4983.08895.792-5.0746.65030.70950.28690.4938-1.8854-0.51791.37041.111-1.4266-0.01160.95860.0355-0.26231.0030.07440.604713.7166-47.0253145.6473
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 69 through 76 )A69 - 76
2X-RAY DIFFRACTION2chain 'A' and (resid 77 through 97 )A77 - 97
3X-RAY DIFFRACTION3chain 'A' and (resid 98 through 107 )A98 - 107
4X-RAY DIFFRACTION4chain 'A' and (resid 108 through 123 )A108 - 123
5X-RAY DIFFRACTION5chain 'A' and (resid 124 through 143 )A124 - 143
6X-RAY DIFFRACTION6chain 'A' and (resid 144 through 155 )A144 - 155
7X-RAY DIFFRACTION7chain 'A' and (resid 156 through 166 )A156 - 166
8X-RAY DIFFRACTION8chain 'A' and (resid 167 through 173 )A167 - 173
9X-RAY DIFFRACTION9chain 'A' and (resid 174 through 182 )A174 - 182
10X-RAY DIFFRACTION10chain 'A' and (resid 183 through 192 )A183 - 192
11X-RAY DIFFRACTION11chain 'A' and (resid 193 through 199 )A193 - 199
12X-RAY DIFFRACTION12chain 'B' and (resid 69 through 107 )B69 - 107
13X-RAY DIFFRACTION13chain 'B' and (resid 108 through 130 )B108 - 130
14X-RAY DIFFRACTION14chain 'B' and (resid 131 through 143 )B131 - 143
15X-RAY DIFFRACTION15chain 'B' and (resid 144 through 173 )B144 - 173
16X-RAY DIFFRACTION16chain 'B' and (resid 174 through 192 )B174 - 192
17X-RAY DIFFRACTION17chain 'B' and (resid 193 through 205 )B193 - 205
18X-RAY DIFFRACTION18chain 'C' and (resid 69 through 76 )C69 - 76
19X-RAY DIFFRACTION19chain 'C' and (resid 77 through 86 )C77 - 86
20X-RAY DIFFRACTION20chain 'C' and (resid 87 through 97 )C87 - 97
21X-RAY DIFFRACTION21chain 'C' and (resid 98 through 107 )C98 - 107
22X-RAY DIFFRACTION22chain 'C' and (resid 108 through 130 )C108 - 130
23X-RAY DIFFRACTION23chain 'C' and (resid 131 through 143 )C131 - 143
24X-RAY DIFFRACTION24chain 'C' and (resid 144 through 155 )C144 - 155
25X-RAY DIFFRACTION25chain 'C' and (resid 156 through 182 )C156 - 182
26X-RAY DIFFRACTION26chain 'C' and (resid 183 through 192 )C183 - 192
27X-RAY DIFFRACTION27chain 'C' and (resid 193 through 204 )C193 - 204
28X-RAY DIFFRACTION28chain 'D' and (resid 10 through 68 )D10 - 68
29X-RAY DIFFRACTION29chain 'D' and (resid 69 through 112 )D69 - 112
30X-RAY DIFFRACTION30chain 'D' and (resid 113 through 153 )D113 - 153
31X-RAY DIFFRACTION31chain 'E' and (resid 13 through 68 )E13 - 68
32X-RAY DIFFRACTION32chain 'E' and (resid 69 through 107 )E69 - 107
33X-RAY DIFFRACTION33chain 'E' and (resid 108 through 153 )E108 - 153
34X-RAY DIFFRACTION34chain 'F' and (resid 11 through 54 )F11 - 54
35X-RAY DIFFRACTION35chain 'F' and (resid 55 through 68 )F55 - 68
36X-RAY DIFFRACTION36chain 'F' and (resid 69 through 90 )F69 - 90
37X-RAY DIFFRACTION37chain 'F' and (resid 91 through 112 )F91 - 112
38X-RAY DIFFRACTION38chain 'F' and (resid 113 through 131 )F113 - 131
39X-RAY DIFFRACTION39chain 'F' and (resid 132 through 153 )F132 - 153
40X-RAY DIFFRACTION40chain 'G' and (resid 69 through 76 )G69 - 76
41X-RAY DIFFRACTION41chain 'G' and (resid 77 through 86 )G77 - 86
42X-RAY DIFFRACTION42chain 'G' and (resid 87 through 97 )G87 - 97
43X-RAY DIFFRACTION43chain 'G' and (resid 98 through 107 )G98 - 107
44X-RAY DIFFRACTION44chain 'G' and (resid 108 through 123 )G108 - 123
45X-RAY DIFFRACTION45chain 'G' and (resid 124 through 131 )G124 - 131
46X-RAY DIFFRACTION46chain 'G' and (resid 132 through 143 )G132 - 143
47X-RAY DIFFRACTION47chain 'G' and (resid 144 through 155 )G144 - 155
48X-RAY DIFFRACTION48chain 'G' and (resid 156 through 166 )G156 - 166
49X-RAY DIFFRACTION49chain 'G' and (resid 167 through 173 )G167 - 173
50X-RAY DIFFRACTION50chain 'G' and (resid 174 through 182 )G174 - 182
51X-RAY DIFFRACTION51chain 'G' and (resid 183 through 192 )G183 - 192
52X-RAY DIFFRACTION52chain 'G' and (resid 193 through 204 )G193 - 204
53X-RAY DIFFRACTION53chain 'H' and (resid 69 through 76 )H69 - 76
54X-RAY DIFFRACTION54chain 'H' and (resid 77 through 86 )H77 - 86
55X-RAY DIFFRACTION55chain 'H' and (resid 87 through 113 )H87 - 113
56X-RAY DIFFRACTION56chain 'H' and (resid 114 through 131 )H114 - 131
57X-RAY DIFFRACTION57chain 'H' and (resid 132 through 143 )H132 - 143
58X-RAY DIFFRACTION58chain 'H' and (resid 144 through 166 )H144 - 166
59X-RAY DIFFRACTION59chain 'H' and (resid 167 through 173 )H167 - 173
60X-RAY DIFFRACTION60chain 'H' and (resid 174 through 182 )H174 - 182
61X-RAY DIFFRACTION61chain 'H' and (resid 183 through 195 )H183 - 195
62X-RAY DIFFRACTION62chain 'I' and (resid 69 through 86 )I69 - 86
63X-RAY DIFFRACTION63chain 'I' and (resid 87 through 97 )I87 - 97
64X-RAY DIFFRACTION64chain 'I' and (resid 98 through 107 )I98 - 107
65X-RAY DIFFRACTION65chain 'I' and (resid 108 through 123 )I108 - 123
66X-RAY DIFFRACTION66chain 'I' and (resid 124 through 131 )I124 - 131
67X-RAY DIFFRACTION67chain 'I' and (resid 132 through 143 )I132 - 143
68X-RAY DIFFRACTION68chain 'I' and (resid 144 through 166 )I144 - 166
69X-RAY DIFFRACTION69chain 'I' and (resid 167 through 182 )I167 - 182
70X-RAY DIFFRACTION70chain 'I' and (resid 183 through 192 )I183 - 192
71X-RAY DIFFRACTION71chain 'I' and (resid 193 through 204 )I193 - 204
72X-RAY DIFFRACTION72chain 'J' and (resid 8 through 48 )J8 - 48
73X-RAY DIFFRACTION73chain 'J' and (resid 49 through 56 )J49 - 56
74X-RAY DIFFRACTION74chain 'J' and (resid 57 through 68 )J57 - 68
75X-RAY DIFFRACTION75chain 'J' and (resid 69 through 90 )J69 - 90
76X-RAY DIFFRACTION76chain 'J' and (resid 91 through 105 )J91 - 105
77X-RAY DIFFRACTION77chain 'J' and (resid 106 through 117 )J106 - 117
78X-RAY DIFFRACTION78chain 'J' and (resid 118 through 131 )J118 - 131
79X-RAY DIFFRACTION79chain 'J' and (resid 132 through 140 )J132 - 140
80X-RAY DIFFRACTION80chain 'J' and (resid 141 through 153 )J141 - 153
81X-RAY DIFFRACTION81chain 'K' and (resid 10 through 39 )K10 - 39
82X-RAY DIFFRACTION82chain 'K' and (resid 40 through 68 )K40 - 68
83X-RAY DIFFRACTION83chain 'K' and (resid 69 through 117 )K69 - 117
84X-RAY DIFFRACTION84chain 'K' and (resid 118 through 153 )K118 - 153
85X-RAY DIFFRACTION85chain 'L' and (resid 11 through 24 )L11 - 24
86X-RAY DIFFRACTION86chain 'L' and (resid 25 through 39 )L25 - 39
87X-RAY DIFFRACTION87chain 'L' and (resid 40 through 68 )L40 - 68
88X-RAY DIFFRACTION88chain 'L' and (resid 69 through 82 )L69 - 82
89X-RAY DIFFRACTION89chain 'L' and (resid 83 through 90 )L83 - 90
90X-RAY DIFFRACTION90chain 'L' and (resid 91 through 112 )L91 - 112
91X-RAY DIFFRACTION91chain 'L' and (resid 113 through 131 )L113 - 131
92X-RAY DIFFRACTION92chain 'L' and (resid 132 through 140 )L132 - 140
93X-RAY DIFFRACTION93chain 'L' and (resid 141 through 153 )L141 - 153

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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

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