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- PDB-5thk: Crystal Structure of a Putative Dehydrogenase from Burkholderia c... -

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データを開く


IDまたはキーワード:

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基本情報

登録情報
データベース: PDB / ID: 5thk
タイトルCrystal Structure of a Putative Dehydrogenase from Burkholderia cenocepacia with bound NADP
要素Putative dehydrogenase
キーワードOXIDOREDUCTASE / SSGCID / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease
機能・相同性
機能・相同性情報


oxidoreductase activity, acting on CH-OH group of donors / nucleotide binding / metal ion binding
類似検索 - 分子機能
PKS_KR / Enoyl-(Acyl carrier protein) reductase / Short-chain dehydrogenase/reductase SDR / NAD(P)-binding Rossmann-like Domain / NAD(P)-binding domain superfamily / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
類似検索 - ドメイン・相同性
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / Dehydrogenase
類似検索 - 構成要素
生物種Burkholderia cenocepacia (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: 1.4 Å
データ登録者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
引用ジャーナル: to be published
タイトル: Crystal Structure of a Putative Dehydrogenase from Burkholderia cenocepacia with bound NADP
著者: Dranow, D.M. / Mayclin, S.J. / Lorimer, D.D. / Edwards, T.E.
履歴
登録2016年9月29日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02016年10月12日Provider: repository / タイプ: Initial release
改定 1.12023年10月4日Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_prerelease_seq / pdbx_struct_oper_list / struct_conn
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_oper_list.symmetry_operation / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr1_symmetry / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_conn.ptnr2_symmetry

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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: Putative dehydrogenase
B: Putative dehydrogenase
C: Putative dehydrogenase
D: Putative dehydrogenase
E: Putative dehydrogenase
F: Putative dehydrogenase
G: Putative dehydrogenase
H: Putative dehydrogenase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)232,90420
ポリマ-226,4328
非ポリマー6,47212
49,8112765
1
A: Putative dehydrogenase
B: Putative dehydrogenase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)58,0954
ポリマ-56,6082
非ポリマー1,4872
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area6100 Å2
ΔGint-32 kcal/mol
Surface area18630 Å2
手法PISA
2
C: Putative dehydrogenase
G: Putative dehydrogenase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)58,3827
ポリマ-56,6082
非ポリマー1,7745
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area6210 Å2
ΔGint-41 kcal/mol
Surface area19530 Å2
手法PISA
3
D: Putative dehydrogenase
E: Putative dehydrogenase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)58,0954
ポリマ-56,6082
非ポリマー1,4872
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area6100 Å2
ΔGint-32 kcal/mol
Surface area18480 Å2
手法PISA
4
F: Putative dehydrogenase
H: Putative dehydrogenase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)58,3335
ポリマ-56,6082
非ポリマー1,7253
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area6480 Å2
ΔGint-34 kcal/mol
Surface area18700 Å2
手法PISA
5
A: Putative dehydrogenase
B: Putative dehydrogenase
F: Putative dehydrogenase
H: Putative dehydrogenase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)116,4289
ポリマ-113,2164
非ポリマー3,2125
724
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area20290 Å2
ΔGint-115 kcal/mol
Surface area29610 Å2
手法PISA
6
C: Putative dehydrogenase
D: Putative dehydrogenase
E: Putative dehydrogenase
G: Putative dehydrogenase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)116,47611
ポリマ-113,2164
非ポリマー3,2617
724
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area20290 Å2
ΔGint-123 kcal/mol
Surface area30030 Å2
手法PISA
単位格子
Length a, b, c (Å)75.540, 102.440, 122.250
Angle α, β, γ (deg.)90.000, 97.280, 90.000
Int Tables number4
Space group name H-MP1211

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要素

#1: タンパク質
Putative dehydrogenase


分子量: 28303.996 Da / 分子数: 8 / 由来タイプ: 組換発現
由来: (組換発現) Burkholderia cenocepacia (バクテリア)
: ATCC BAA-245 / DSM 16553 / LMG 16656 / NCTC 13227 / J2315 / CF5610
遺伝子: BCAL2694 / プラスミド: BuceA.00010.k.B1 / 発現宿主: Escherichia coli (大腸菌) / 株 (発現宿主): BL21(DE3) / 参照: UniProt: B4E8W7
#2: 化合物
ChemComp-NAP / NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE


分子量: 743.405 Da / 分子数: 8 / 由来タイプ: 合成 / : C21H28N7O17P3
#3: 化合物 ChemComp-MG / MAGNESIUM ION


分子量: 24.305 Da / 分子数: 2 / 由来タイプ: 合成 / : Mg
#4: 化合物 ChemComp-1PE / PENTAETHYLENE GLYCOL / PEG400


分子量: 238.278 Da / 分子数: 2 / 由来タイプ: 合成 / : C10H22O6 / コメント: 沈殿剤*YM
#5: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 2765 / 由来タイプ: 天然 / : H2O

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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: 2.07 Å3/Da / 溶媒含有率: 40.64 %
結晶化温度: 290 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 7.5
詳細: BuceA.00010.k.B1.PW37237 @22.1 mg/ml, incubated with 4mM NADP, mixed 1:1 with an equal volume MCSG1(e3): 30% (v/v) PEG 550 MME, 0.1 M HEPES/NaOH, pH=7.5, 0.05 M MgCl2

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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: 21-ID-G / 波長: 0.97856 Å
検出器タイプ: MARMOSAIC 300 mm CCD / 検出器: CCD / 日付: 2016年7月5日 / 詳細: Beryllium Lenses
放射モノクロメーター: Diamond [111] / 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: 0.97856 Å / 相対比: 1
反射最高解像度: 1.4 Å / Num. obs: 358521 / % possible obs: 99.1 % / Observed criterion σ(I): -3 / 冗長度: 3.8 % / Biso Wilson estimate: 10.35 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.062 / Net I/σ(I): 14.28
反射 シェル
解像度 (Å)最高解像度 (Å)Rmerge(I) obsMean I/σ(I) obsCC1/2Diffraction-ID% possible all
1.4-1.440.562.380.769198.7
1.44-1.480.4622.890.831198.7
1.48-1.520.373.650.884198.6
1.52-1.570.3074.360.913198.9
1.57-1.620.2555.310.939198.9
1.62-1.670.2116.350.956199.1
1.67-1.740.1777.460.968199.1
1.74-1.810.1399.390.979199
1.81-1.890.11111.550.986199.2
1.89-1.980.08814.180.991199.3
1.98-2.090.06817.70.994199.3
2.09-2.210.05820.60.995199.4
2.21-2.370.04923.630.997199.4
2.37-2.560.04326.160.997199.5
2.56-2.80.03729.430.998199.5
2.8-3.130.03233.20.998199.5
3.13-3.610.02837.850.999199.5
3.61-4.430.02641.310.999199.6
4.43-6.260.02441.620.999199.6
6.260.02442.080.999197.9

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解析

ソフトウェア
名称バージョン分類
XSCALEデータスケーリング
PHENIX(dev_2499)精密化
PDB_EXTRACT3.2データ抽出
XDSデータ削減
MOLREP位相決定
精密化構造決定の手法: 分子置換
開始モデル: 3U5T
解像度: 1.4→45.192 Å / SU ML: 0.1 / 交差検証法: FREE R-VALUE / σ(F): 1.34 / 位相誤差: 15.95
Rfactor反射数%反射
Rfree0.1641 1987 55 %
Rwork0.1397 --
obs0.1399 358467 99.09 %
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å
原子変位パラメータBiso max: 61.44 Å2 / Biso mean: 14.7035 Å2 / Biso min: 5.23 Å2
精密化ステップサイクル: final / 解像度: 1.4→45.192 Å
タンパク質核酸リガンド溶媒全体
原子数15355 0 434 2823 18612
Biso mean--12.85 27.31 -
残基数----2056
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.00516623
X-RAY DIFFRACTIONf_angle_d0.84622749
X-RAY DIFFRACTIONf_chiral_restr0.0842583
X-RAY DIFFRACTIONf_plane_restr0.0063064
X-RAY DIFFRACTIONf_dihedral_angle_d15.9156064
LS精密化 シェル

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 14 / % reflection obs: 99 %

解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all
1.4-1.4350.2211380.21262518725325
1.435-1.47380.18251380.19362532925467
1.4738-1.51720.17891380.17572531725455
1.5172-1.56610.17791270.16592529125418
1.5661-1.62210.17991410.15642535325494
1.6221-1.68710.1941510.15342535025501
1.6871-1.76380.20971340.15392548325617
1.7638-1.85680.18071450.14552543925584
1.8568-1.97320.17871270.14322548725614
1.9732-2.12550.16491320.13612554525677
2.1255-2.33940.14761640.12932554125705
2.3394-2.67790.14251660.13052558125747
2.6779-3.37370.16311500.1292567525825
3.3737-45.21550.14221360.11882590226038
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)
12.0424-0.4664-0.69461.7996-1.32511.55830.04690.1387-0.2161-0.11050.05030.04820.2969-0.1711-0.11190.0714-0.01270.02050.0679-0.00350.09-3.5079-4.714114.936
22.7390.23691.2490.61980.02051.44270.0326-0.01620.01240.0113-0.01280.06210.0293-0.0416-0.00010.087-0.00170.02420.0685-0.00610.0827-3.34040.567420.881
32.65070.08090.82920.5267-0.0071.04620.082-0.1698-0.0420.0409-0.07210.06450.0085-0.1235-0.01620.1021-0.01470.02120.09480.00320.0831-2.1642-1.164928.3737
48.45051.0742.87511.7290.16711.99880.1117-0.0909-0.29710.0002-0.05110.0640.2428-0.0138-0.04850.1268-0.00470.01020.07870.00940.07844.4842-12.720924.3676
51.36530.3083-0.1430.1987-0.13660.30990.0468-0.09990.05970.0886-0.030.02280.02550.0177-0.01330.09740.00710.00830.0626-0.00310.065614.19275.341420.7785
63.59482.17951.5091.80471.3161.61180.0452-0.1734-0.09130.0498-0.0601-0.0510.05430.01130.02240.08410.01550.01340.07480.02190.048717.0862-2.638420.8997
70.4572-0.0869-0.09630.0417-0.06850.46770.0029-0.02780.0160.0284-0.01220.02220.01230.00970.00890.0883-0.00310.00970.0655-0.00230.078712.04124.293812.517
81.9881-0.25252.32322.80941.41975.9744-0.06820.02660.1723-0.00330.01660.0573-0.26120.07340.05120.10760.00730.01820.0668-0.01140.11465.323723.737313.7449
91.02020.6486-0.02772.86220.78541.0182-0.01650.010.02610.0305-0.01510.11650.014-0.06490.03290.06740.0105-0.01160.05590.00270.05533.07225.94186.3084
101.41970.1732-0.11611.6713-0.80291.85880.00670.01620.1140.015-0.0544-0.0274-0.09190.12040.05060.05410.0031-0.01960.0797-0.00390.079348.68477.53910.1201
115.33640.8876-2.80750.4631-0.45292.50450.003-0.1347-0.10740.0436-0.0213-0.05320.03530.1550.02490.09540.0145-0.02850.09380.00940.087551.1686-0.387916.5703
125.64483.401-1.75432.6807-1.33131.38660.1357-0.37770.13110.1291-0.120.0114-0.07780.0855-0.01850.11280.0027-0.02120.1211-0.02210.083645.47988.712924.6222
130.5152-0.2267-0.05850.18120.09250.8261-0.03220.0374-0.11470.05580.0422-0.06330.0844-0.0056-0.01580.08020.0152-0.01170.04860.00260.057732.1448-2.85513.1531
142.74342.4518-0.61893.6382-0.81150.28520.0514-0.1303-0.00330.1708-0.07650.03080.02630.05120.0210.0850.0145-0.00820.08560.00380.035731.13532.457219.9609
150.5095-0.02390.02260.2697-0.05450.37290.0029-0.0323-0.02260.0115-0.01520.00020.01520.00520.01130.09450.0039-0.00560.0641-0.00170.073131.48374.52648.1497
161.4691-0.4718-0.19143.5969-2.34574.0547-0.07110.0935-0.0846-0.16970.08890.08960.3161-0.09550.00240.12660.01130.01120.0698-0.02670.091234.4936-8.6663-7.3178
170.7860.1120.01261.73490.64110.7939-0.00420.01330.01840.03550.019-0.05140.01560.0757-0.01560.0817-0.0009-0.0060.05450.00610.049237.50249.1643-0.1591
181.5251-0.1303-0.04891.70610.26971.18260.03640.10680.0238-0.0017-0.0650.0536-0.0192-0.10410.03260.04350.0021-0.00170.1248-0.03570.07920.300529.139545.4227
194.6087-4.7315-4.0074.89834.14063.64220.00360.3281-0.40030.0153-0.13220.23160.153-0.10970.16350.0966-0.0057-0.01180.1901-0.08030.161615.372919.588841.2428
207.0231-0.6568-4.61340.8351.23834.93580.08590.5426-0.1501-0.0464-0.1560.102-0.0491-0.21430.05010.0850.0184-0.01630.1711-0.03740.091321.292326.173735.6801
211.7738-0.8344-0.56811.58111.63481.80920.14310.490.0085-0.195-0.14850.131-0.1544-0.23790.03250.11260.0205-0.01360.2643-0.00420.090622.983233.008731.0969
221.9399-0.8655-0.20790.81170.13190.2744-0.00230.08-0.2266-0.0073-0.0270.13560.0129-0.05120.02850.0602-0.0057-0.00720.0928-0.02730.068137.435921.30341.4232
232.7715-2.5238-0.83233.54831.04030.50950.05290.1655-0.0781-0.0983-0.06470.068-0.0317-0.10390.00380.0553-0.0063-0.0010.1246-0.02080.046437.798226.97334.9749
240.8873-0.2142-0.0640.43820.1010.55920.00330.0853-0.09650.0049-0.02110.03040.0184-0.04450.01290.0505-0.0025-0.00120.0759-0.01650.054537.626828.204146.9859
250.26930.40870.47944.91921.73694.5716-0.04370.0419-0.2155-0.02930.0172-0.26590.37380.05140.010.1125-0.02460.02780.09030.0010.144235.792913.435161.223
260.7116-0.10540.07881.3962-0.52590.59870.010.0218-0.0276-0.0285-0.01580.03940.0358-0.08740.00240.0698-0.00170.00480.0755-0.02150.048631.60131.600855.8314
272.2073-0.00080.68841.11270.99331.10890.0430.08350.21-0.06580.04130.051-0.20060.2615-0.10560.0381-0.00920.00980.1026-0.02290.089278.567139.787961.6375
281.6950.0781-0.56581.2316-0.35481.75970.0021-0.0787-0.0314-0.01590.0449-0.06250.00680.0792-0.04860.03170.0058-0.00570.1094-0.01480.067779.049933.668667.7074
297.82582.5018-5.31042.5079-2.52654.1793-0.0134-0.45-0.20270.1206-0.0664-0.11340.02980.23370.04030.07330.0134-0.02440.19460.00560.110683.886431.127774.4184
303.7423-1.9763-1.56811.18841.11232.3150.0842-0.40860.2744-0.00550.0623-0.1046-0.06220.2658-0.11950.0735-0.0152-0.00350.1619-0.04490.091577.153639.98676.2506
313.65770.4736-0.99510.67590.06780.74780.0142-0.23070.3093-0.01010.076-0.0902-0.13420.1549-0.0920.0877-0.0154-0.00480.1622-0.06040.141475.988148.264573.964
321.1046-0.0248-0.07520.30070.21830.3277-0.0105-0.0736-0.07230.05350.005-0.02760.01290.03430.02310.05980.0018-0.00320.0706-0.00890.047661.590632.744473.764
332.45680.9619-1.80730.9118-0.91112.33390.0797-0.17290.0770.0610.0037-0.0224-0.07250.2106-0.05270.04710.0031-0.0020.0967-0.03630.060361.710141.522374.887
340.59420.0398-0.11930.31430.00290.46050.0017-0.0759-0.0172-0.00310.0061-0.01330.010.0326-0.00770.0597-0.00220.00510.07-0.00860.063161.427334.462265.0311
351.28630.23650.21852.6389-0.74954.6708-0.0482-0.0619-0.13210.17680.03330.08790.2382-0.01460.02510.09610.01880.01730.05430.00580.108862.744314.011863.4988
360.3640.0497-0.0291.5065-0.34860.5608-0.0006-0.0042-0.01370.01180.0076-0.04770.00890.0724-0.00550.0659-0.00010.00560.0676-0.01680.056167.192431.439456.1488
371.7820.11140.42790.38790.35371.78410.0572-0.0808-0.2310.0279-0.0592-0.04750.1918-0.162-0.02590.0575-0.00940.01840.1012-0.00110.077726.080635.099474.8094
382.17530.77060.47231.27260.31751.3469-0.0093-0.10990.01030.0042-0.00780.0348-0.0222-0.15660.03820.05550.0130.0150.098-0.01590.065827.211943.810675.6514
393.8741-0.68370.52670.52110.14230.6630.0176-0.37080.09740.0189-0.05440.0498-0.0616-0.17190.04750.08790.00920.0120.1525-0.0340.079627.899447.053182.4891
408.1011.1641-1.29070.57840.17181.34360.1127-0.3907-0.11740.1041-0.06740.02180.137-0.159-0.03610.0923-0.0110.01080.13220.00860.063733.80136.002987.5703
410.75620.0578-0.11070.45740.10940.50210.0703-0.08030.10590.05-0.00960.0153-0.05120.0039-0.03940.06740.00410.00480.062-0.00860.055644.927545.45172.7316
421.38270.6524-0.0211.10880.21570.59080.0559-0.10930.05130.0861-0.02470.0112-0.0008-0.0121-0.03170.06230.00490.00410.0869-0.00740.050347.055440.040278.5654
430.56950.0595-0.05550.41930.22010.51760.0158-0.03520.0356-0.0126-0.0025-0.0028-0.0319-0.0122-0.0150.0565-0.00190.00770.0649-0.00610.056242.317139.138467.4988
443.62912.08791.96645.64671.74573.8348-0.12180.09690.2254-0.07220.0421-0.1609-0.41330.10610.03390.11790.0122-00.08020.02360.089237.57254.379254.5512
450.66770.3711-0.17331.9382-0.67050.7526-0.004-0.0073-0.00620.0349-0.00190.0454-0.0168-0.07320.00190.0603-0.0054-0.00270.0729-0.01390.041933.136236.670361.6261
462.1165-0.58230.52231.0299-1.17031.3606-0.0414-0.14340.2152-0.0049-0.06890.2361-0.2948-0.43030.04170.12650.0352-0.06580.1828-0.07880.2806-10.258513.9559-6.3129
471.276-0.2507-0.02450.8412-0.06911.1291-0.04180.0268-0.0219-0.1515-0.1260.3721-0.056-0.25080.08830.13640.0132-0.07930.184-0.07810.2749-10.07458.473-12.9408
480.95330.2306-0.01750.16970.10.2178-0.05760.0630.0646-0.1537-0.03620.2521-0.0325-0.18490.07210.15850.0391-0.23260.3619-0.22140.4263-14.54086.2054-20.0034
492.3781-0.2598-0.58150.52710.17330.2971-0.11780.19040.199-0.2584-0.09320.328-0.2301-0.35370.0390.23160.0729-0.14650.2398-0.06490.2891-9.036520.1121-18.633
500.34670.1128-0.09440.45440.25530.8013-0.01320.07650.0101-0.1034-0.02920.102-0.0572-0.07130.03670.11720.0118-0.03190.0825-0.00350.09757.289312.2743-13.6698
511.302-0.3274-0.64051.58181.36856.38390.00360.0319-0.1337-0.2965-0.0461-0.00340.39420.19470.07980.18610.00180.01230.0894-0.00740.13017.8926-9.9898-10.1813
521.1145-0.6584-0.47522.72781.31931.6504-0.01910.03660.0091-0.0436-0.04350.17260.0064-0.11240.06340.079-0.0014-0.00630.05820.00130.06631.80966.2954-1.3403
530.9778-0.4713-0.35843.0704-2.60495.6734-0.10980.0064-0.39010.13590.1760.27170.2938-0.2763-0.00380.13560.02190.00470.141-0.00980.261474.225412.740452.5241
541.5871-0.01520.43520.8139-0.02890.55810.00550.04520.0292-0.05890.0349-0.0666-0.04370.0711-0.04390.0747-0.00610.02170.0922-0.02660.070371.26729.261634.5841
552.45210.1040.89020.40220.13790.9878-0.03520.23250.057-0.1070.0905-0.0743-0.12980.1431-0.04010.0973-0.01940.02550.1043-0.03550.086972.667127.749327.473
563.48250.58730.84070.62340.47140.99250.03260.2116-0.2231-0.04540.0288-0.06420.00590.1-0.09240.0809-0.00540.00940.0816-0.01720.078167.286322.590526.8154
576.59-2.70960.73231.66980.35320.8750.01840.0377-0.3103-0.06080.01980.01560.0033-0.0128-0.04390.0714-0.01420.01380.0744-0.0270.084565.209914.614928.6591
580.22890.0834-0.23680.3840.16220.61230.05930.12210.0762-0.0937-0.0416-0.0248-0.061-0.0657-0.020.06880.00210.00510.079-0.00950.055153.412832.244533.8683
592.6744-1.63340.98371.7727-0.96941.30520.0940.1731-0.0935-0.1158-0.03590.01870.0408-0.0276-0.04590.0559-0.01150.00640.0961-0.03720.061452.322623.16133.1633
600.47750.02240.01160.38930.03070.5530.00620.0531-0.00920.00130.0098-0.0121-0.0307-0.0227-0.01730.057-0.00160.00810.0647-0.01350.058956.761729.978742.1996
612.1961-0.35492.61242.1765-1.08994.2504-0.08470.01280.1256-0.0780.0442-0.0164-0.2608-0.05920.03340.1003-0.00760.01610.0571-0.00480.071361.819449.833942.6891
620.3496-0.2829-0.02692.1266-0.450.4274-0.0002-00.0041-0.06140.0052-0.0563-0.0180.0419-0.00170.0573-0.0087-0.00190.0615-0.02050.044665.899431.951548.1583
631.48440.40930.05782.12-0.39571.7347-0.03220.0601-0.0698-0.13270.0738-0.32480.04540.2752-0.03560.1342-0.01620.03860.15-0.02160.141642.7815.0393-18.6644
641.32880.35860.05871.5762-0.75541.3076-0.05850.14280.1275-0.24340.0811-0.2744-0.23430.17830.06590.2359-0.06070.05190.1170.00910.167841.765826.459-20.2607
656.40871.29952.47051.250.13011.7651-0.20680.492-0.0282-0.39840.1747-0.1504-0.16370.11920.06550.2917-0.06040.05520.13270.00530.147736.706323.4693-26.961
668.5571-1.4547-2.36081.3012-0.91662.33250.04610.649-0.0277-0.5184-0.0178-0.15040.01230.20820.00090.3091-0.06460.06190.2082-0.02630.130935.477716.311-31.4651
671.22070.0822-0.06840.7940.05340.41920.05410.04950.2909-0.15650.0141-0.0618-0.1404-0.0391-0.08080.16810.001-0.01160.08140.01960.078422.777123.837-15.8734
684.2443-2.2203-0.4252.25770.52320.29140.07310.27460.096-0.1926-0.0837-0.0005-0.1357-0.02760.00550.1939-0.0128-0.01430.10750.02470.066821.459418.5249-22.4203
690.9191-0.1567-0.10010.66930.1440.7098-0.01710.05980.0909-0.04930.0108-0.0265-0.05860.00960.00550.1162-0.003-0.0060.07050.01070.073326.140116.9425-11.3317
700.516-0.0098-0.1672.11571.0971.15890.0089-0.0010.0903-0.07730.0096-0.0108-0.12090.0604-0.03270.0936-0.0027-0.01460.05930.01390.07433.303820.8961-2.2716
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 3 through 18 )A3 - 18
2X-RAY DIFFRACTION2chain 'A' and (resid 19 through 42 )A19 - 42
3X-RAY DIFFRACTION3chain 'A' and (resid 43 through 72 )A43 - 72
4X-RAY DIFFRACTION4chain 'A' and (resid 73 through 87 )A73 - 87
5X-RAY DIFFRACTION5chain 'A' and (resid 88 through 109 )A88 - 109
6X-RAY DIFFRACTION6chain 'A' and (resid 110 through 134 )A110 - 134
7X-RAY DIFFRACTION7chain 'A' and (resid 135 through 202 )A135 - 202
8X-RAY DIFFRACTION8chain 'A' and (resid 203 through 225 )A203 - 225
9X-RAY DIFFRACTION9chain 'A' and (resid 226 through 257 )A226 - 257
10X-RAY DIFFRACTION10chain 'B' and (resid 1 through 42 )B1 - 42
11X-RAY DIFFRACTION11chain 'B' and (resid 43 through 72 )B43 - 72
12X-RAY DIFFRACTION12chain 'B' and (resid 73 through 87 )B73 - 87
13X-RAY DIFFRACTION13chain 'B' and (resid 88 through 109 )B88 - 109
14X-RAY DIFFRACTION14chain 'B' and (resid 110 through 134 )B110 - 134
15X-RAY DIFFRACTION15chain 'B' and (resid 135 through 202 )B135 - 202
16X-RAY DIFFRACTION16chain 'B' and (resid 203 through 225 )B203 - 225
17X-RAY DIFFRACTION17chain 'B' and (resid 226 through 257 )B226 - 257
18X-RAY DIFFRACTION18chain 'C' and (resid 3 through 42 )C3 - 42
19X-RAY DIFFRACTION19chain 'C' and (resid 43 through 58 )C43 - 58
20X-RAY DIFFRACTION20chain 'C' and (resid 59 through 72 )C59 - 72
21X-RAY DIFFRACTION21chain 'C' and (resid 73 through 87 )C73 - 87
22X-RAY DIFFRACTION22chain 'C' and (resid 88 through 109 )C88 - 109
23X-RAY DIFFRACTION23chain 'C' and (resid 110 through 134 )C110 - 134
24X-RAY DIFFRACTION24chain 'C' and (resid 135 through 202 )C135 - 202
25X-RAY DIFFRACTION25chain 'C' and (resid 203 through 225 )C203 - 225
26X-RAY DIFFRACTION26chain 'C' and (resid 226 through 257 )C226 - 257
27X-RAY DIFFRACTION27chain 'D' and (resid 2 through 18 )D2 - 18
28X-RAY DIFFRACTION28chain 'D' and (resid 19 through 42 )D19 - 42
29X-RAY DIFFRACTION29chain 'D' and (resid 43 through 59 )D43 - 59
30X-RAY DIFFRACTION30chain 'D' and (resid 60 through 72 )D60 - 72
31X-RAY DIFFRACTION31chain 'D' and (resid 73 through 87 )D73 - 87
32X-RAY DIFFRACTION32chain 'D' and (resid 88 through 109 )D88 - 109
33X-RAY DIFFRACTION33chain 'D' and (resid 110 through 134 )D110 - 134
34X-RAY DIFFRACTION34chain 'D' and (resid 135 through 202 )D135 - 202
35X-RAY DIFFRACTION35chain 'D' and (resid 203 through 225 )D203 - 225
36X-RAY DIFFRACTION36chain 'D' and (resid 226 through 257 )D226 - 257
37X-RAY DIFFRACTION37chain 'E' and (resid 2 through 18 )E2 - 18
38X-RAY DIFFRACTION38chain 'E' and (resid 19 through 42 )E19 - 42
39X-RAY DIFFRACTION39chain 'E' and (resid 43 through 72 )E43 - 72
40X-RAY DIFFRACTION40chain 'E' and (resid 73 through 87 )E73 - 87
41X-RAY DIFFRACTION41chain 'E' and (resid 88 through 109 )E88 - 109
42X-RAY DIFFRACTION42chain 'E' and (resid 110 through 134 )E110 - 134
43X-RAY DIFFRACTION43chain 'E' and (resid 135 through 202 )E135 - 202
44X-RAY DIFFRACTION44chain 'E' and (resid 203 through 225 )E203 - 225
45X-RAY DIFFRACTION45chain 'E' and (resid 226 through 257 )E226 - 257
46X-RAY DIFFRACTION46chain 'F' and (resid 2 through 18 )F2 - 18
47X-RAY DIFFRACTION47chain 'F' and (resid 19 through 42 )F19 - 42
48X-RAY DIFFRACTION48chain 'F' and (resid 43 through 59 )F43 - 59
49X-RAY DIFFRACTION49chain 'F' and (resid 60 through 87 )F60 - 87
50X-RAY DIFFRACTION50chain 'F' and (resid 88 through 202 )F88 - 202
51X-RAY DIFFRACTION51chain 'F' and (resid 203 through 225 )F203 - 225
52X-RAY DIFFRACTION52chain 'F' and (resid 226 through 257 )F226 - 257
53X-RAY DIFFRACTION53chain 'G' and (resid -7 through 9 )G-7 - 9
54X-RAY DIFFRACTION54chain 'G' and (resid 10 through 30 )G10 - 30
55X-RAY DIFFRACTION55chain 'G' and (resid 31 through 58 )G31 - 58
56X-RAY DIFFRACTION56chain 'G' and (resid 59 through 72 )G59 - 72
57X-RAY DIFFRACTION57chain 'G' and (resid 73 through 87 )G73 - 87
58X-RAY DIFFRACTION58chain 'G' and (resid 88 through 109 )G88 - 109
59X-RAY DIFFRACTION59chain 'G' and (resid 110 through 134 )G110 - 134
60X-RAY DIFFRACTION60chain 'G' and (resid 135 through 202 )G135 - 202
61X-RAY DIFFRACTION61chain 'G' and (resid 203 through 225 )G203 - 225
62X-RAY DIFFRACTION62chain 'G' and (resid 226 through 257 )G226 - 257
63X-RAY DIFFRACTION63chain 'H' and (resid 2 through 18 )H2 - 18
64X-RAY DIFFRACTION64chain 'H' and (resid 19 through 58 )H19 - 58
65X-RAY DIFFRACTION65chain 'H' and (resid 59 through 72 )H59 - 72
66X-RAY DIFFRACTION66chain 'H' and (resid 73 through 87 )H73 - 87
67X-RAY DIFFRACTION67chain 'H' and (resid 88 through 109 )H88 - 109
68X-RAY DIFFRACTION68chain 'H' and (resid 110 through 134 )H110 - 134
69X-RAY DIFFRACTION69chain 'H' and (resid 135 through 202 )H135 - 202
70X-RAY DIFFRACTION70chain 'H' and (resid 203 through 257 )H203 - 257

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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