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- PDB-4aln: Crystal structure of S. aureus FabI (P32) -

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基本情報

登録情報
データベース: PDB / ID: 4aln
タイトルCrystal structure of S. aureus FabI (P32)
要素ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
キーワードOXIDOREDUCTASE / SHORT-CHAIN DEHYDROGENASE/REDUCTASE SUPERFAMILY / FATTY ACID BIOSYNTHESIS / LIPID SYNTHESIS
機能・相同性
機能・相同性情報


: / enoyl-[acyl-carrier-protein] reductase (NADPH) activity / enoyl-[acyl-carrier-protein] reductase (NADPH, Re-specific) / enoyl-[acyl-carrier-protein] reductase (NADH) activity / fatty acid biosynthetic process / nucleotide binding / identical protein binding
類似検索 - 分子機能
Enoyl-[acyl-carrier-protein] reductase (NADH) / 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
Enoyl-[acyl-carrier-protein] reductase [NADPH] / Enoyl-[acyl-carrier-protein] reductase [NADPH]
類似検索 - 構成要素
生物種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: 3.05 Å
データ登録者Schiebel, J. / Kisker, C.
引用ジャーナル: Structure / : 2012
タイトル: Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality
著者: Schiebel, J. / Chang, A. / Lu, H. / Baxter, M.V. / Tonge, P.J. / Kisker, C.
履歴
登録2012年3月4日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02012年5月9日Provider: repository / タイプ: Initial release
改定 1.12012年5月23日Group: Other
改定 1.22023年12月20日Group: Data collection / Database references ...Data collection / Database references / Other / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf

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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: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
B: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
C: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
D: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
E: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
F: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
G: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
H: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
I: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
J: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
K: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
L: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]


分子量 (理論値)分子数
合計 (水以外)373,73112
ポリマ-373,73112
非ポリマー00
4,504250
1
A: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
B: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
C: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
D: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]


分子量 (理論値)分子数
合計 (水以外)124,5774
ポリマ-124,5774
非ポリマー00
724
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area9410 Å2
ΔGint-51.8 kcal/mol
Surface area36030 Å2
手法PISA
2
E: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
F: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
G: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
H: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]


分子量 (理論値)分子数
合計 (水以外)124,5774
ポリマ-124,5774
非ポリマー00
724
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area9680 Å2
ΔGint-50.8 kcal/mol
Surface area36660 Å2
手法PISA
3
I: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
J: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
K: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]
L: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]


分子量 (理論値)分子数
合計 (水以外)124,5774
ポリマ-124,5774
非ポリマー00
724
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area8830 Å2
ΔGint-46.7 kcal/mol
Surface area35930 Å2
手法PISA
単位格子
Length a, b, c (Å)123.780, 123.780, 190.110
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number145
Space group name H-MP32

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要素

#1: タンパク質
ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH] / ENR / ENOYL-ACP REDUCTASE


分子量: 31144.240 Da / 分子数: 12 / 変異: YES / 由来タイプ: 組換発現
由来: (組換発現) STAPHYLOCOCCUS AUREUS (黄色ブドウ球菌)
: N315 / プラスミド: PETM-11 / 発現宿主: ESCHERICHIA COLI (大腸菌) / 株 (発現宿主): BL21(DE3)
参照: UniProt: Q7A6D8, UniProt: A0A0H3JLH9*PLUS, EC: 1.3.1.10
#2: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 250 / 由来タイプ: 天然 / : H2O
構成要素の詳細ENGINEERED RESIDUE IN CHAIN A, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN B, LEU 2 TO VAL ENGINEERED ...ENGINEERED RESIDUE IN CHAIN A, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN B, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN C, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN D, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN E, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN F, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN G, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN H, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN I, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN J, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN K, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN L, LEU 2 TO VAL

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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: 2.99 Å3/Da / 溶媒含有率: 58.59 % / 解説: NONE
結晶化詳細: 0.61 M NH4H2PO4, 9% T-BUTANOL, 0.01 M EDTA PH 7.0

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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: ESRF / ビームライン: ID29 / 波長: 0.919
検出器タイプ: DECTRIS PILATUS 6M / 検出器: PIXEL / 日付: 2010年2月5日
放射プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長波長: 0.919 Å / 相対比: 1
Reflection twin
Crystal-IDIDOperatorDomain-IDFraction
11H, K, L10.674
11K, H, -L20.326
反射解像度: 3.05→50 Å / Num. obs: 61623 / % possible obs: 99.3 % / Observed criterion σ(I): -3 / 冗長度: 2.6 % / Rmerge(I) obs: 0.12 / Net I/σ(I): 6.76
反射 シェル解像度: 3.05→3.2 Å / 冗長度: 2.6 % / Rmerge(I) obs: 0.5 / Mean I/σ(I) obs: 2.12 / % possible all: 99.7

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解析

ソフトウェア
名称バージョン分類
REFMAC5.5.0109精密化
XDSデータ削減
XSCALEデータスケーリング
PHASER位相決定
精密化構造決定の手法: 分子置換
開始モデル: PDB ENTRY 4ALL
解像度: 3.05→44.28 Å / Cor.coef. Fo:Fc: 0.926 / Cor.coef. Fo:Fc free: 0.9 / SU B: 32.195 / SU ML: 0.275 / 交差検証法: THROUGHOUT / ESU R Free: 0.095 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor反射数%反射Selection details
Rfree0.24554 3064 5 %RANDOM
Rwork0.20292 ---
obs0.20509 58556 99.06 %-
溶媒の処理イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.4 Å / 溶媒モデル: MASK
原子変位パラメータBiso mean: 67.113 Å2
Baniso -1Baniso -2Baniso -3
1-18.01 Å20 Å20 Å2
2--18.01 Å20 Å2
3----36.01 Å2
精密化ステップサイクル: LAST / 解像度: 3.05→44.28 Å
タンパク質核酸リガンド溶媒全体
原子数19811 0 0 250 20061
拘束条件
Refine-IDタイプDev idealDev ideal target
X-RAY DIFFRACTIONr_bond_refined_d0.0150.02220036
X-RAY DIFFRACTIONr_bond_other_d
X-RAY DIFFRACTIONr_angle_refined_deg1.4821.96927002
X-RAY DIFFRACTIONr_angle_other_deg
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.90852521
X-RAY DIFFRACTIONr_dihedral_angle_2_deg38.46625.499911
X-RAY DIFFRACTIONr_dihedral_angle_3_deg18.079153648
X-RAY DIFFRACTIONr_dihedral_angle_4_deg21.0151593
X-RAY DIFFRACTIONr_chiral_restr0.090.23160
X-RAY DIFFRACTIONr_gen_planes_refined0.0050.0214731
X-RAY DIFFRACTIONr_gen_planes_other
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it1.391.512646
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it2.575220261
X-RAY DIFFRACTIONr_mcangle_other
X-RAY DIFFRACTIONr_scbond_it3.76737390
X-RAY DIFFRACTIONr_scbond_other
X-RAY DIFFRACTIONr_scangle_it6.5954.56741
X-RAY DIFFRACTIONr_scangle_other
X-RAY DIFFRACTIONr_long_range_B_refined
X-RAY DIFFRACTIONr_long_range_B_other
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
LS精密化 シェル解像度: 3.048→3.127 Å / Total num. of bins used: 20
Rfactor反射数%反射
Rfree0.394 168 -
Rwork0.266 4271 -
obs--96.67 %
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)
12.25250.41260.06042.0502-1.11263.779-0.0925-0.21660.19820.10620.1191-0.1632-0.6888-0.1662-0.02660.44970.07370.01550.3527-0.05120.150844.6385-10.381318.9036
24.6219-1.78520.2358-0.1743-0.32871.5475-0.3193-0.0115-0.1588-0.01120.0957-0.1134-0.0476-0.11220.22360.3-0.0255-0.01060.2720.00110.232353.0018-24.194418.815
30.1472-1.04930.46420.6396-0.15121.68980.0833-0.01290.1537-0.0233-0.0427-0.20670.07470.1553-0.04060.3575-0.0295-0.01580.3094-0.00260.229154.3301-25.031310.3122
41.31740.5801-0.85752.1383-1.06191.4805-0.06740.06620.2014-0.14270.0591-0.2283-0.20840.20010.00830.3753-0.03-0.00120.3913-0.07470.227653.9559-15.2414-0.7984
52.0011-0.23671.00822.8357-0.22594.04940.1175-0.10930.18350.24710.1435-0.1270.17910.1233-0.2610.28060.02260.0080.2136-0.02230.096977.1543-52.241217.5571
61.50581.0870.05052.87131.30622.85920.04660.12170.23560.1124-0.0378-0.0160.23850.1143-0.00880.22610.0025-0.02350.2691-0.00590.099579.6057-46.759622.6294
7-0.4937-1.31930.54631.03850.59881.4205-0.0172-0.02350.145-0.03510.038-0.05430.1282-0.089-0.02080.3066-0.0423-0.00730.3243-0.02020.237371.0062-35.213618.0649
81.13-0.3887-0.4190.99920.03731.4598-0.062-0.2177-0.0978-0.1996-0.00280.04560.1105-0.01480.06480.3055-0.0234-0.00330.33670.02470.180868.3782-36.89769.6827
90.26070.63540.28012.32830.02411.9573-0.1395-0.09380.0732-0.0982-0.04410.38650.1979-0.28140.18360.33410.00640.0140.3451-0.00390.219963.7159-50.04432.9626
102.1519-0.24611.39847.3701-4.82367.4950.29690.1938-0.29190.16510.0034-0.40750.26050.6972-0.30030.33690.11330.0480.4254-0.05060.128680.3554-50.5678-16.8031
111.5197-0.68981.2134-0.0261-0.46643.6320.16180.14330.1873-0.0868-0.0067-0.05550.19130.5302-0.15510.40290.10530.03930.4174-0.04540.178175.5173-51.9865-26.1509
120.5707-1.9340.56273.6408-1.24242.32170.1622-0.01450.03050.085-0.10480.36550.12580.2369-0.05740.3667-0.0060.02670.345-0.00540.234862.844-43.2727-20.3442
132.2848-2.50470.8379-2.36221.47552.7273-0.1215-0.01740.12230.11010.0984-0.20720.1434-0.12990.02310.3213-0.01920.01490.32890.01530.162163.6968-41.641-12.5091
140.8465-0.21670.2893.54510.88051.51170.0555-0.18850.1508-0.0799-0.1187-0.3281-0.15870.32230.06320.3026-0.0018-0.00690.41220.00050.150276.3469-36.0797-5.8147
154.6449-0.65310.9934-0.6031-0.44992.6425-0.0645-0.0087-0.0630.08160.07640.05830.1231-0.153-0.0120.29840.0110.04070.26-0.02750.140233.472-20.8779-15.6519
163.3852-0.6242-1.4751-0.00560.2812.32020.02910.2556-0.0963-0.1588-0.1454-0.00120.0135-0.31270.11630.28250.0605-0.01120.29860.01630.13535.267-21.6118-25.4695
171.6303-3.5467-0.0494.2726-0.1718-0.0675-0.03520.0236-0.07080.11980.085-0.03840.0594-0.0101-0.04980.29550.02220.02340.3109-0.00480.204549.8843-27.0155-21.7652
181.81190.3704-1.0615-2.23991.03471.7645-0.0625-0.1098-0.0060.21120.11180.04880.28480.0234-0.04930.3185-0.002-0.00740.32170.05260.189652.5727-27.5743-13.547
192.0198-0.85121.33180.02660.40864.17740.1-0.1914-0.226-0.2604-0.19060.19710.13170.01340.09050.36740.0548-0.00380.3060.00930.207342.4105-22.8982-4.7099
204.24932.69210.6761.26970.52021.5930.08990.08320.0362-0.16890.00930.1411-0.531-0.1604-0.09920.52690.1090.00510.40440.00910.2367-13.890329.5483-9.7878
212.0695-2.9151-0.13682.3683-0.84734.7502-0.15840.35280.2343-0.3572-0.14410.2885-1.4988-0.58470.30250.83430.2319-0.18510.45130.05710.3826-18.062831.2348-18.3972
223.26090.5365-0.91460.67360.8054-0.58620.14080.17310.1637-0.19480.1964-0.1167-0.1410.1132-0.33710.5657-0.00320.02280.29750.05110.1505-7.050325.1456-22.8457
230.31211.11350.3816.17190.63411.31620.0429-0.18-0.0357-0.0952-0.0051-0.1355-0.145-0.1423-0.03780.4224-0.00930.02470.3879-0.03540.1044-5.374313.9392-17.6249
24-1.7425-0.47071.41813.76292.07942.17710.07530.01690.01530.2039-0.05440.0658-0.1023-0.1308-0.02090.3791-0.01070.02310.3464-0.02610.195-2.031512.7405-9.7274
251.64470.4553-0.93110.69980.49382.1489-0.1857-0.079-0.18-0.17330.00950.18410.0633-0.27070.17620.37030.0038-0.00640.36980.00930.2939-14.004216.70342.2301
264.4696-1.64190.27981.1332-0.03434.99670.3118-0.05860.1830.30350.00730.33930.1159-0.0681-0.31910.26060.02850.03190.225-0.04990.11847.1208-20.4983-13.2824
271.8386-0.706-1.22683.3464-3.547311.94510.07350.4589-0.1405-0.1271-0.27580.03260.49760.39810.20230.17850.0818-0.02130.2982-0.09370.21838.3399-23.8622-20.0472
282.8599-0.28270.65284.2601-1.21124.34660.06110.0923-0.17750.2294-0.03860.0886-0.2209-0.1366-0.02250.2041-0.0167-0.03190.2790.02630.1017-4.1452-18.2612-21.7195
290.06791.2708-0.60095.0023-0.98892.69230.09320.0034-0.01660.1269-0.1748-0.0277-0.21490.11890.08160.2769-0.0172-0.04320.36460.00890.2364-4.5461-7.2947-16.6132
300.9208-0.5393-1.46761.4226-2.25193.712-0.01390.07450.11320.0607-0.0158-0.1265-0.01670.06630.02970.3818-0.01460.02240.3837-0.05240.1647-2.4375-3.9846-9.009
315.30183.61340.51851.8772-1.33122.7731-0.055-0.1212-0.09170.1714-0.06230.0782-0.18510.04110.11730.38370.075-0.00010.30140.0010.12415.8666-11.9729-1.3993
322.6247-0.7873-1.8914.9020.03961.06020.0894-0.0594-0.35850.32740.04310.06180.7145-0.0998-0.13250.5775-0.0021-0.11490.38210.02630.2123.1476-23.381316.6006
332.26251.42140.83182.58670.23152.56510.2289-0.0511-0.38470.3631-0.07290.2580.5126-0.1162-0.1560.50790.0857-0.02770.41460.00280.19397.2073-19.73426.7446
341.6615-1.35730.21342.88160.79970.1693-0.05270.4007-0.21920.0555-0.04850.25790.03660.18120.10120.3820.024-0.02260.39950.01510.18977.4285-5.26821.3825
35-5.58720.409-0.52370.4884-0.01373.39620.27520.26980.1076-0.063-0.2345-0.17520.0364-0.3666-0.04070.38490.0217-0.0060.4222-0.02520.24268.0434-3.762412.9969
36-0.3072-0.27810.16481.45530.05521.8928-0.0414-0.0417-0.20070.2328-0.00580.2166-0.0365-0.44950.04720.4217-0.00660.00460.46190.02130.1926-6.7047-12.70727.1898
374.8541-2.04420.76283.0615-1.47963.07340.17970.1743-0.12460.0905-0.0805-0.0361-0.21880.0242-0.09920.35640.00220.02850.204-0.02480.11412.032232.063817.0899
383.90441.5192-1.28862.3856-1.43722.97030.0968-0.1016-0.08420.3035-0.156-0.0174-0.3760.08690.05920.36410.0264-0.04470.1775-0.01820.08381.571330.041426.7934
392.5365-3.95640.97274.8593-1.46683.06960.1259-0.0609-0.1666-0.18730.03150.04240.02970.2284-0.15740.3552-0.0436-0.00540.2629-0.00030.2438-0.225114.637522.6178
40-0.2621-0.0416-0.35442.2680.73760.23270.21050.1171-0.2776-0.2563-0.2058-0.2413-0.12320.1383-0.00470.42710.01930.00180.4997-0.02590.2057-0.926412.494214.3366
411.94280.7287-0.52582.1103-0.65752.3302-0.17950.3432-0.1784-0.4025-0.0051-0.32210.11530.3020.18450.4612-0.03980.04490.4412-0.02190.26655.945820.93722.9191
42-0.74831.29090.97424.9755-1.01124.17080.0580.25950.17020.53040.1027-0.4298-0.35250.7287-0.16070.5947-0.12360.02790.7112-0.00110.444128.3421-56.291616.5908
43-0.1299-0.3304-0.64710.20870.97872.31160.1126-0.2329-0.0712-0.0389-0.0537-0.21-0.20890.2953-0.05890.7674-0.1437-0.06450.69020.04410.473325.8244-57.508528.0907
440.93231.377-0.4422.4814-0.62640.53690.1766-0.2931-0.05620.0862-0.1604-0.1748-0.27350.0541-0.01620.5913-0.03580.0170.5253-0.03010.425211.259-62.74224.4004
451.75741.2288-0.43242.74510.0281-0.25820.24760.0603-0.24650.0013-0.24180.0675-0.12230.0062-0.00580.6142-0.0103-0.03580.419-0.00820.46658.3455-62.874916.3172
46-0.20650.8551-0.7082-0.3789-1.1590.59710.08580.14480.11060.1004-0.2105-0.0940.0894-0.06090.12470.4957-0.0429-0.04140.5584-0.03140.455520.7583-67.20424.6122
473.1455-0.11170.28923.11114.18717.24120.2494-0.2440.1819-0.16970.32990.05520.1676-0.424-0.57940.4527-0.0839-0.03940.48940.14690.3771-19.7086-85.958119.3607
485.4066-1.1863-0.27444.33780.33921.27850.0654-0.293-0.05320.15240.12150.38580.0548-0.4124-0.18680.5579-0.1003-0.01750.52030.05410.3958-15.3056-87.322628.9742
492.3012.69090.86781.44111.26060.60140.1882-0.01990.12350.0367-0.1056-0.0823-0.05210.0431-0.08260.579-0.0121-0.06270.47960.04010.3811-1.7563-80.914223.3919
50-0.84310.51070.0482-3.85520.54734.1017-0.06480.0754-0.015-0.08730.00630.0813-0.10370.13550.05840.53570.0028-0.03740.459-0.03540.4438-0.8072-80.194214.6488
512.1401-1.22371.2402-0.64160.74722.70170.09430.0165-0.0137-0.0367-0.07280.0701-0.3355-0.1954-0.02150.5698-0.0070.08220.5660.00820.4632-15.0988-72.54967.8199
520.8797-1.4041-0.0809-0.7582-0.35563.39920.1150.2422-0.2818-0.18750.01040.13650.4642-0.211-0.12540.7001-0.0986-0.09020.7348-0.06430.5303-16.5339-89.1871-16.7581
53-0.523-0.6577-1.68084.7852-1.55772.1015-0.07420.0188-0.1101-0.2290.221-0.00640.2836-0.1537-0.14680.3609-0.101-0.08530.76530.07430.3428-19.6625-77.1609-19.6174
541.05491.10631.3062-0.04410.68790.2831-0.0499-0.0671-0.0619-0.16830.1426-0.10230.1595-0.2346-0.09270.5713-0.0305-0.01360.70930.06230.4692-8.7646-72.6538-15.1457
554.8033-1.3171-2.65920.94291.07141.60210.1824-0.00950.22560.09-0.036-0.0947-0.1597-0.0984-0.14640.4047-0.00340.0120.5142-0.00310.3844-7.0195-71.2511-7.3359
56-0.4848-0.83440.71771.4377-1.46651.1387-0.07690.10630.16570.0301-0.0695-0.19170.32160.09120.14640.57770.0155-0.01340.6291-0.05810.4655-2.6149-86.4884-0.1941
577.6152-5.08772.39984.15672.01554.21660.1635-0.1225-0.0151-0.00240.0423-0.1117-0.1871-0.2096-0.20580.5925-0.05530.04180.44670.10110.347918.3695-46.0179-8.7724
583.71670.35647.06082.24442.61397.20130.2210.27840.3929-0.2365-0.44090.0348-0.12020.32720.21980.557-0.10830.11260.56130.03270.472517.9582-41.8686-17.5651
592.2637-0.5877-0.27540.7347-1.04383.0949-0.2790.33510.0442-0.2149-0.05580.19320.0070.13620.33480.4703-0.048-0.03270.4776-0.05070.423318.3237-54.5551-21.5284
602.3785-1.0336-0.30181.0776-1.54560.9002-0.1351-0.3907-0.0531-0.15370.1007-0.02050.1087-0.12260.03440.456-0.02150.03550.4196-0.1150.33339.7591-61.8469-16.3784
61-1.55991.6128-0.23422.4889-0.4958-0.1069-0.0685-0.0389-0.1944-0.09220.17180.07-0.1032-0.1022-0.10320.3920.04-0.01130.4519-0.02510.449111.5956-65.2133-8.314
620.5593-0.4353-0.16692.7247-1.34862.1848-0.3198-0.22980.0340.41270.31640.0775-0.1792-0.2720.00340.5035-0.02780.05330.4791-0.00080.421214.4303-54.80860.6971
精密化 TLSグループ
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A3 - 98
2X-RAY DIFFRACTION2A107 - 147
3X-RAY DIFFRACTION3A154 - 194
4X-RAY DIFFRACTION4A205 - 255
5X-RAY DIFFRACTION5B3 - 46
6X-RAY DIFFRACTION6B47 - 96
7X-RAY DIFFRACTION7B109 - 146
8X-RAY DIFFRACTION8B158 - 194
9X-RAY DIFFRACTION9B205 - 255
10X-RAY DIFFRACTION10C3 - 39
11X-RAY DIFFRACTION11C40 - 94
12X-RAY DIFFRACTION12C107 - 148
13X-RAY DIFFRACTION13C157 - 194
14X-RAY DIFFRACTION14C203 - 255
15X-RAY DIFFRACTION15D3 - 40
16X-RAY DIFFRACTION16D41 - 94
17X-RAY DIFFRACTION17D109 - 146
18X-RAY DIFFRACTION18D156 - 190
19X-RAY DIFFRACTION19D222 - 251
20X-RAY DIFFRACTION20E3 - 30
21X-RAY DIFFRACTION21E31 - 61
22X-RAY DIFFRACTION22E62 - 94
23X-RAY DIFFRACTION23E107 - 147
24X-RAY DIFFRACTION24E157 - 190
25X-RAY DIFFRACTION25E203 - 256
26X-RAY DIFFRACTION26F3 - 25
27X-RAY DIFFRACTION27F26 - 61
28X-RAY DIFFRACTION28F62 - 94
29X-RAY DIFFRACTION29F109 - 147
30X-RAY DIFFRACTION30F154 - 191
31X-RAY DIFFRACTION31F222 - 255
32X-RAY DIFFRACTION32G3 - 32
33X-RAY DIFFRACTION33G33 - 97
34X-RAY DIFFRACTION34G109 - 148
35X-RAY DIFFRACTION35G159 - 189
36X-RAY DIFFRACTION36G203 - 255
37X-RAY DIFFRACTION37H3 - 40
38X-RAY DIFFRACTION38H41 - 94
39X-RAY DIFFRACTION39H108 - 147
40X-RAY DIFFRACTION40H156 - 193
41X-RAY DIFFRACTION41H206 - 255
42X-RAY DIFFRACTION42I3 - 34
43X-RAY DIFFRACTION43I35 - 94
44X-RAY DIFFRACTION44I109 - 146
45X-RAY DIFFRACTION45I157 - 189
46X-RAY DIFFRACTION46I205 - 255
47X-RAY DIFFRACTION47J3 - 39
48X-RAY DIFFRACTION48J40 - 93
49X-RAY DIFFRACTION49J109 - 146
50X-RAY DIFFRACTION50J159 - 190
51X-RAY DIFFRACTION51J205 - 253
52X-RAY DIFFRACTION52K3 - 68
53X-RAY DIFFRACTION53K69 - 94
54X-RAY DIFFRACTION54K109 - 148
55X-RAY DIFFRACTION55K157 - 190
56X-RAY DIFFRACTION56K204 - 255
57X-RAY DIFFRACTION57L3 - 30
58X-RAY DIFFRACTION58L31 - 61
59X-RAY DIFFRACTION59L62 - 94
60X-RAY DIFFRACTION60L108 - 146
61X-RAY DIFFRACTION61L159 - 189
62X-RAY DIFFRACTION62L222 - 252

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万見について

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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://pdbjlvh1.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