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- PDB-3zp7: Arg90Cit chorismate mutase of Bacillus subtilis in complex with c... -

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基本情報

登録情報
データベース: PDB / ID: 3zp7
タイトルArg90Cit chorismate mutase of Bacillus subtilis in complex with chorismate and prephenate
要素CHORISMATE MUTASE AROH
キーワードISOMERASE / PSEUDO-ALPHA BETA-BARREL / NON-PROTEINOGENIC AMINO ACID / SEMI-SYNTHETIC / REACTION MECHANISM
機能・相同性
機能・相同性情報


chorismate metabolic process / chorismate mutase / chorismate mutase activity / aromatic amino acid family biosynthetic process / amino acid biosynthetic process / cytoplasm
類似検索 - 分子機能
Chorismate mutase, AroH class / Chorismate mutase type I / Chorismate mutase domain profile. / RutC-like / RutC-like superfamily / 60s Ribosomal Protein L30; Chain: A; / 2-Layer Sandwich / Alpha Beta
類似検索 - ドメイン・相同性
Chem-ISJ / PREPHENIC ACID / Chorismate mutase AroH
類似検索 - 構成要素
生物種BACILLUS SUBTILIS (枯草菌)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 1.698 Å
データ登録者Burschowsky, D. / vanEerde, A. / Okvist, M. / Kienhofer, A. / Kast, P. / Hilvert, D. / Krengel, U.
引用ジャーナル: Proc.Natl.Acad.Sci.USA / : 2014
タイトル: Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis.
著者: Burschowsky, D. / Van Eerde, A. / Okvist, M. / Kienhofer, A. / Kast, P. / Hilvert, D. / Krengel, U.
履歴
登録2013年2月26日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02014年4月16日Provider: repository / タイプ: Initial release
改定 1.12014年8月13日Group: Atomic model / Derived calculations
改定 1.22014年11月26日Group: Database references
改定 1.32014年12月3日Group: Database references
改定 1.42014年12月10日Group: Database references
改定 1.52014年12月24日Group: Database references
改定 2.02023年11月15日Group: Atomic model / Data collection ...Atomic model / Data collection / Database references / Derived calculations / Other
カテゴリ: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / struct_conn / struct_site
Item: _atom_site.auth_atom_id / _atom_site.label_atom_id ..._atom_site.auth_atom_id / _atom_site.label_atom_id / _atom_site_anisotrop.pdbx_auth_atom_id / _atom_site_anisotrop.pdbx_label_atom_id / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
改定 2.12023年12月20日Group: Refinement description / カテゴリ: pdbx_initial_refinement_model
改定 2.22024年11月13日Group: Structure summary
カテゴリ: pdbx_entry_details / pdbx_modification_feature
Item: _pdbx_entry_details.has_protein_modification

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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: CHORISMATE MUTASE AROH
B: CHORISMATE MUTASE AROH
C: CHORISMATE MUTASE AROH
D: CHORISMATE MUTASE AROH
E: CHORISMATE MUTASE AROH
F: CHORISMATE MUTASE AROH
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)89,39316
ポリマ-87,1326
非ポリマー2,26210
10,142563
1
D: CHORISMATE MUTASE AROH
E: CHORISMATE MUTASE AROH
F: CHORISMATE MUTASE AROH
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)44,4707
ポリマ-43,5663
非ポリマー9054
543
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area8660 Å2
ΔGint-18.2 kcal/mol
Surface area14470 Å2
手法PISA
2
A: CHORISMATE MUTASE AROH
B: CHORISMATE MUTASE AROH
C: CHORISMATE MUTASE AROH
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)44,9239
ポリマ-43,5663
非ポリマー1,3576
543
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area9270 Å2
ΔGint-12.4 kcal/mol
Surface area14280 Å2
手法PISA
単位格子
Length a, b, c (Å)50.245, 51.307, 70.138
Angle α, β, γ (deg.)97.51, 92.91, 101.11
Int Tables number1
Space group name H-MP1

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要素

#1: タンパク質
CHORISMATE MUTASE AROH / CHORISMATE MUTASE / CM


分子量: 14521.919 Da / 分子数: 6 / 変異: YES / 由来タイプ: 組換発現 / 由来: (組換発現) BACILLUS SUBTILIS (枯草菌) / 発現宿主: ESCHERICHIA COLI (大腸菌) / 参照: UniProt: P19080, chorismate mutase
#2: 化合物
ChemComp-PRE / PREPHENIC ACID / プレフェン酸


分子量: 226.183 Da / 分子数: 5 / 由来タイプ: 合成 / : C10H10O6
#3: 化合物
ChemComp-ISJ / (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid / Chorismic Acid / コリスミン酸


分子量: 226.183 Da / 分子数: 5 / 由来タイプ: 合成 / : C10H10O6
#4: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 563 / 由来タイプ: 天然 / : H2O
Has protein modificationY
非ポリマーの詳細CHORISMATE (ISJ): CHEBI ENTRY 29748 --- CHORISMATE IS MOSTLY DEPROTONATED AT THE PH THAT WAS USED, ...CHORISMATE (ISJ): CHEBI ENTRY 29748 --- CHORISMATE IS MOSTLY DEPROTONATED AT THE PH THAT WAS USED, BUT THE NAME CHORISMIC ACID, C10 H10 O6, COULD ALSO BE USED. PREPHENIC ACID (PRE): PREPHENIC ACID IS DEPROTONATED AT THE PH THAT WAS USED, AND SHOULD THEREFORE BE PRESENT AS PREPHENATE C10 H8 O6

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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: 2.28 Å3/Da / 溶媒含有率: 46.13 % / 解説: NONE
結晶化pH: 6
詳細: 100 MM MMT BUFFER ---MALIC ACID, MES, TRIS, IN MOLAR RATIOS OF 1:2:2, RESPECTIVELY--- PH 6.0, 125 MM CALCIUM CHLORIDE, 25% W/V PEG 1000

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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: ID23-2 / 波長: 0.8726
検出器タイプ: MARMOSAIC 225 mm CCD / 検出器: CCD / 日付: 2011年10月1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: 0.8726 Å / 相対比: 1
反射解像度: 1.7→49.15 Å / Num. obs: 70311 / % possible obs: 93.7 % / 冗長度: 1.9 % / Biso Wilson estimate: 15.27 Å2 / Rmerge(I) obs: 0.03 / Net I/σ(I): 15.5
反射 シェル解像度: 1.7→1.79 Å / 冗長度: 1.9 % / Rmerge(I) obs: 0.17 / Mean I/σ(I) obs: 4.3 / % possible all: 92.8

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解析

ソフトウェア
名称バージョン分類
PHENIX(PHENIX.REFINE)精密化
XDSデータ削減
XDS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 1DBF
解像度: 1.698→37.964 Å / SU ML: 0.23 / σ(F): 1.98 / 位相誤差: 20.14 / 立体化学のターゲット値: ML
詳細: INITIAL REFINEMENTS WERE PERFORMED WITH REFMAC. FINAL REFINEMENT WAS PERFORMED WITH PHENIX.REFINE.
Rfactor反射数%反射
Rfree0.2185 3546 5 %
Rwork0.165 --
obs0.1677 70310 93.74 %
溶媒の処理減衰半径: 0.98 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL / Bsol: 27.171 Å2 / ksol: 0.329 e/Å3
原子変位パラメータBiso mean: 20.072 Å2
Baniso -1Baniso -2Baniso -3
1-0.1879 Å2-0.4823 Å2-0.1339 Å2
2---0.1003 Å2-0.503 Å2
3----0.0877 Å2
精密化ステップサイクル: LAST / 解像度: 1.698→37.964 Å
タンパク質核酸リガンド溶媒全体
原子数5592 0 160 563 6315
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.0076019
X-RAY DIFFRACTIONf_angle_d1.0438180
X-RAY DIFFRACTIONf_dihedral_angle_d17.3522435
X-RAY DIFFRACTIONf_chiral_restr0.07975
X-RAY DIFFRACTIONf_plane_restr0.0051057
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.698-1.72130.32891470.26072479X-RAY DIFFRACTION88
1.7213-1.74590.28151430.2292707X-RAY DIFFRACTION95
1.7459-1.77190.29111480.2272685X-RAY DIFFRACTION95
1.7719-1.79960.28971440.21642707X-RAY DIFFRACTION95
1.7996-1.82910.28051340.20262714X-RAY DIFFRACTION95
1.8291-1.86060.23331420.1822672X-RAY DIFFRACTION95
1.8606-1.89450.25161290.17532695X-RAY DIFFRACTION93
1.8945-1.93090.23851430.17012568X-RAY DIFFRACTION91
1.9309-1.97030.23141520.16672653X-RAY DIFFRACTION93
1.9703-2.01320.22531420.1622702X-RAY DIFFRACTION94
2.0132-2.060.21911530.15862674X-RAY DIFFRACTION94
2.06-2.11150.23311380.15862550X-RAY DIFFRACTION90
2.1115-2.16860.20571380.16472681X-RAY DIFFRACTION95
2.1686-2.23240.221420.16142727X-RAY DIFFRACTION95
2.2324-2.30440.21881310.1592597X-RAY DIFFRACTION91
2.3044-2.38680.20841360.1612728X-RAY DIFFRACTION95
2.3868-2.48230.20741320.16012730X-RAY DIFFRACTION96
2.4823-2.59530.21821270.16632722X-RAY DIFFRACTION95
2.5953-2.73210.21941520.17682635X-RAY DIFFRACTION94
2.7321-2.90320.2431570.16962722X-RAY DIFFRACTION95
2.9032-3.12730.22681520.18432694X-RAY DIFFRACTION95
3.1273-3.44180.2161390.17012686X-RAY DIFFRACTION95
3.4418-3.93940.19741540.14542646X-RAY DIFFRACTION93
3.9394-4.96140.15831270.12212690X-RAY DIFFRACTION94
4.9614-37.97360.19271440.15742700X-RAY DIFFRACTION95
精密化 TLS

手法: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
17.92230.749-2.01277.3789-3.42776.1129-0.09270.7122-0.2812-0.6591-0.02020.58270.3179-0.49760.07650.10230.0181-0.01540.1201-0.02060.1203-2.4293-3.7093-0.9353
25.34451.22313.64791.13381.0533.0351-0.04870.0560.0855-0.0165-0.0186-0.0221-0.32830.61830.07820.1058-0.01370.03170.1978-0.020.03335.17011.627317.4141
31.8263-1.7485-1.163.02180.00513.4367-0.1002-0.3163-0.02260.5330.1460.0568-0.014-0.0449-0.04680.2902-0.08910.00210.34650.07110.016812.1939-4.046928.3643
45.4197-1.1541-0.02477.04880.37356.0316-0.0999-0.55580.00750.77340.15580.3138-0.0679-0.2091-0.01740.205-0.05530.04080.28540.04580.03636.6753-5.822924.0173
51.89740.3845-0.62280.9739-1.23832.9781-0.0596-0.365-0.2150.21440.00890.09050.0746-0.03850.0110.1935-0.09990.10860.22950.02990.0879-0.747-6.414518.7839
68.1374-1.2312.17557.1574-2.41447.23730.051-0.62160.08280.7434-0.00680.6221-0.1642-0.6129-0.05640.124-0.02560.04910.182-0.02050.1177-7.0041-5.355812.0339
72.6582-1.0015-2.68014.081-1.30925.6589-0.0671-0.0773-0.342-0.0932-0.06810.43150.3126-0.31990.09540.0732-0.03340.00060.10260.01010.1041-0.9117-12.35254.6847
83.1334.06953.66755.53124.89854.36610.213-0.1805-0.00390.3251-0.24740.1070.3532-0.41430.05380.1039-0.02020.02390.1241-0.00540.05969.1616-4.973810.7705
91.37280.41262.09926.501-3.71446.17150.0335-0.44250.02280.2008-0.2799-0.40930.04830.16410.23580.0781-0.018-0.00580.14480.02550.096217.67370.612120.6256
105.2514-0.08673.22860.16180.35143.00750.2004-0.3135-0.37220.0917-0.0454-0.01310.3531-0.1004-0.15290.1793-0.0233-0.02710.21970.08250.121112.7328-9.947318.695
114.54513.80071.8386.47794.5767.20980.1849-0.6161-0.61910.7089-0.3004-0.42580.45680.43730.14840.2279-0.103-0.05030.24080.11720.22713.7491-15.903916.4131
124.0874-0.6206-0.71821.7608-0.76463.2080.0296-0.1919-0.54120.249-0.08730.1220.5498-0.0409-0.04290.2034-0.01980.00570.07490.06230.18773.448-17.69939.5436
138.55481.30117.9221.82011.27337.927-0.48730.29680.1187-0.48930.3078-0.0104-0.40420.29980.07330.1046-0.00690.01930.1021-0.01090.097712.7981-7.32668.8487
140.5946-0.0497-0.03973.90164.29294.790.0047-0.05660.08790.23810.1093-0.2760.0148-0.0278-0.10610.10780.0249-0.00240.07960.03050.071816.7858.241914.3225
151.4104-0.88022.05833.2891-0.31163.3496-0.0618-0.16580.10090.33830.1248-0.4272-0.4450.5324-0.01350.1304-0.0329-0.01040.2261-0.01820.060211.22464.561720.6318
166.77063.09046.66195.24192.04368.52740.0513-0.0592-0.13840.0423-0.0750.0129-0.0527-0.10120.00970.07210.02390.02740.10180.00080.06040.7039-5.44074.2755
177.41395.7245-1.11337.5897-0.18274.01420.09610.29240.3775-0.4813-0.02110.8249-0.1774-0.3195-0.06650.08890.0332-0.02560.1630.00520.1567-7.9451.09880.0737
182.8503-1.71242.26542.6374-0.584.4939-0.0444-0.2048-0.23850.13130.11340.3868-0.0509-0.3976-0.07950.02740.00360.06170.228-0.08140.1822-5.83251.90958.6777
197.32651.1796-1.50916.65590.7326.38580.1127-0.2320.13790.0824-0.064-0.1066-0.1520.2111-0.0340.1474-0.02990.07550.2004-0.06720.07431.82814.697320.4194
209.23950.3774-0.11427.4964-0.68510.06340.16711.01370.1905-0.9467-0.40160.1941-0.2059-0.50310.20310.380.07430.1080.3208-0.05150.22490.05689.894815.8936
218.3025-2.49252.1343.5865-2.37132.6838-0.13720.00210.0342-0.11560.1527-0.1644-0.0019-0.1684-0.0270.06540.00380.01610.0546-0.0150.06386.0704-13.7585-2.5886
223.75573.2204-0.6073.6276-0.04242.01880.0711-0.1898-0.26280.2619-0.149-0.50810.04750.3202-0.00770.09020.0277-0.05780.10070.05830.304830.6772-14.69467.5176
234.96530.73640.7434.06961.7127.4262-0.06260.1842-0.4239-0.0706-0.0597-0.10020.54850.44690.16750.05460.05330.00330.0893-0.03320.235234.1593-9.61281.5352
242.01150.39280.29665.1407-0.67187.15930.06030.2679-0.2401-0.2053-0.1003-0.64830.80490.67520.01340.13440.07220.04390.1156-0.08230.283928.6006-15.5668-1.797
255.85871.5384-0.3864.66530.67858.0250.03360.0626-0.4166-0.25870.0957-0.41230.42360.3536-0.06540.09770.01220.00010.0806-0.05480.237620.6599-18.1592-3.9877
262.1339-0.29470.34635.9122-2.36683.76740.04150.1424-0.395-0.1859-0.0125-0.15740.95390.0819-0.09960.23590.00960.00560.0689-0.14260.269114.851-22.0087-6.5703
273.7778-0.4162-0.23923.0033-1.67254.04030.15110.2942-0.2536-0.4711-0.0378-0.04220.3230.0863-0.05770.1317-0.03110.02410.1187-0.10110.088312.1512-12.6917-12.4628
283.9871.12075.76720.61691.63368.3430.2270.3217-0.38150.1440.0909-0.18430.34140.2711-0.26110.10290.0060.01170.06-0.01940.116815.3742-6.4316-2.08
293.01051.83910.01014.43632.59763.24110.1224-0.329-0.28020.10360.1067-0.20730.1140.0355-0.22430.083-0.0013-0.00920.07640.03950.097926.4848-5.859510.0256
304.5630.70116.3872.1823-0.04949.5447-0.1196-0.15670.21060.07120.12960.028-0.3562-0.2849-0.02240.09340.03170.01210.1172-0.03560.184728.9288-3.24242.0662
315.41234.8824.00594.56453.99453.8697-0.15241.36940.5642-1.30450.3198-0.9723-0.57650.9546-0.14670.2486-0.0040.05840.3171-0.00550.260526.8882-7.3987-7.7636
325.5382-2.2791-2.11571.83351.47334.46220.15680.32250.0495-0.3175-0.1296-0.17720.10850.28330.12290.2547-0.03420.11470.2566-0.07860.093720.355-8.9644-13.4714
336.79333.28955.49841.96252.64324.45090.0061-0.22660.01190.0831-0.0685-0.0091-0.2444-0.26540.08940.10970.01480.00690.04970.01180.063818.2809-2.8264-1.3876
342.25-4.3023.04548.2286-5.82234.12120.0527-0.3969-0.1220.4739-0.3568-0.256-0.2320.51930.27590.1801-0.0399-0.00920.16760.06140.094721.2414-5.563216.268
355.34640.4134-4.27554.3347-0.9133.4980.0261-0.4267-0.12870.52460.1133-0.12180.16960.2994-0.11720.1481-0.0021-0.05570.10990.04850.188426.1252-11.819412.057
364.1568-1.68395.2931.8942-1.44827.13930.21980.005-0.4586-0.0296-0.0172-0.09470.3493-0.0834-0.19480.0532-0.0042-0.00520.0731-0.0010.13313.2032-11.2381-1.1684
372.71960.60781.22034.61161.70878.2457-0.05870.1289-0.3658-0.16810.10560.22080.7196-0.2794-0.03340.0728-0.01080.00320.0722-0.01860.17033.0854-18.2425-4.9899
384.51352.59770.68243.190.17431.2302-0.00370.1303-0.4503-0.16580.0732-0.09270.33450.00080.04790.1623-0.03330.0343-0.0048-0.05280.36428.4649-22.48071.0662
392.7125-1.29841.2025.2694-0.81253.8356-0.1037-0.10080.17020.22210.0609-0.3034-0.09460.0880.09960.08230.0383-0.06740.04250.03440.26422.9899-19.80136.9392
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886.92512.67485.75054.0015.21437.79590.2011-0.13680.10940.1915-0.22210.17170.1931-0.28830.01060.060.01130.01640.0868-0.01290.051828.459121.117644.8161
895.8713-0.3806-3.24637.76571.54152.02430.26810.285-0.2934-0.1731-0.27740.11930.183-0.2720.00620.12150.0006-0.0040.09870.00460.066615.776111.196137.8182
906.07123.78516.48072.77523.75767.1742-0.12920.06220.5822-0.1562-0.16070.3303-0.4415-0.28430.26080.09750.03590.00270.1450.01410.12214.792120.962242.1334
914.5334.13374.08224.72265.2276.05120.0972-0.23381.3393-0.1692-0.06940.6068-0.8623-0.8448-0.02360.1660.05450.00480.2888-0.06550.268417.741325.541650.5802
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942.2652-1.2058-0.79382.09322.40493.11320.110.2227-0.3381-0.4224-0.3040.65520.31440.02330.16970.15660.0134-0.01310.1281-0.0340.173621.75465.945935.0622
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982.12840.66220.22381.04740.52820.27440.0436-0.4723-0.19510.364-0.0267-0.06950.0578-0.0365-0.08750.155-0.0076-0.01850.26190.1080.033332.159310.70456.824
992.3597-1.2452-1.48386.95710.20978.9626-0.0076-0.0419-0.0467-0.00550.02140.2010.1246-0.2189-0.00830.0903-0.04960.04010.1270.07180.072819.49935.764651.8106
1005.5941-4.9267-5.35456.77654.43036.0954-0.0283-0.9192-0.04270.8108-0.3702-1.42380.20781.17220.41450.2277-0.0247-0.03940.29280.13170.318325.14521.609551.4787
1017.6035-1.31444.3593.2839-1.12937.8098-0.2126-0.03920.23490.5580.0693-0.7177-0.29340.75720.17140.14760.0171-0.07090.1337-0.01380.209737.744828.736546.4199
1023.8652.62611.52632.88512.14141.71020.3918-0.2452-0.3460.030.02750.0460.2135-0.4575-0.40910.15310.0239-0.08940.1030.09280.174424.383729.672233.8457
1036.9015-4.5202-4.73393.24623.83788.49440.05940.89860.7724-0.8473-0.28980.3175-0.7668-0.65050.19980.24780.028-0.08520.29190.0460.227420.065527.531718.9104
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1053.63811.2508-1.84026.43712.13155.55370.12370.4730.4295-0.612-0.2035-0.0597-0.7467-0.14720.10820.22270.01-0.06480.19580.14220.246129.069332.935923.5444
1062.34020.58220.13875.1129-0.94464.1616-0.00950.08830.1713-0.18-0.0578-0.0936-0.29920.0624-0.01630.1758-0.0244-0.05520.08210.13860.213332.695335.13331.0765
1076.70110.3524-5.63823.53890.5776.64150.09170.2660.7403-0.45230.01690.4244-0.7741-0.1582-0.17280.2674-0.0418-0.06260.07560.05830.301935.7938.875536.5579
1086.4858-1.0916-1.4270.18410.28735.33560.2105-0.10760.3710.2857-0.1537-0.6092-0.65170.5176-0.06160.1325-0.0478-0.02870.10250.05180.210644.127830.929336.5514
1093.88852.87274.52482.12643.38275.8021-0.25820.10190.4295-0.1018-0.07450.1848-0.1494-0.14290.17620.0894-0.0018-0.00810.07070.04760.083234.03122.947334.7288
1104.64433.916-6.43393.3033-5.42588.9131-0.22230.5765-0.2215-0.51460.0936-0.05060.3756-0.3670.15520.11330.011-0.00780.1757-0.01750.089720.186419.522424.9784
1115.45155.0095.15847.32792.59436.5724-0.24350.6595-0.0695-0.27880.0292-0.38160.18520.34760.21590.15860.03010.02210.26770.00350.116730.892321.393722.3726
1125.61525.59152.52927.80010.14913.6548-0.12941.4585-0.0925-0.9302-0.0113-0.79540.0541.2860.16140.19410.0215-0.00560.43430.06820.212137.884727.948623.3408
1132.78480.0248-1.61742.5463-0.98233.3174-0.06480.32590.2897-0.44040.0866-0.3179-0.01610.0969-0.03860.0852-0.04780.06260.27360.16170.193544.015627.513728.7029
1146.93393.77234.09943.52293.24713.70580.0677-0.0776-0.13750.1306-0.20210.09740.2963-0.21070.11080.11420.02670.02880.1091-0.01070.088133.085718.722231.7632
1159.2538-4.132-6.04614.42521.8427.963-0.17440.3724-0.18240.09620.17170.48930.1801-0.21810.01950.0955-0.02420.00760.13910.04210.126915.920718.558433.4788
1165.9522-2.40646.98293.4331-2.45378.2551-0.1406-0.22460.2571-0.1045-0.05420.2209-0.0072-0.29970.20440.08330.00840.00270.1420.00440.104921.758325.756831.2158
1175.8242-0.1255-3.6314.86961.3373.1661-0.0543-0.69660.61670.42230.1754-0.3156-0.50640.2611-0.08360.20620.0257-0.09210.1144-0.03050.178736.323432.361245.3157
1183.06410.74070.56690.9604-0.43131.59560.031-0.09340.57630.08230.0059-0.0316-0.78710.0141-0.05560.25720.0222-0.05330.042-0.03640.289529.644836.791441.7989
1196.47281.9293-2.60119.07811.09143.56860.040.11-0.1378-0.09560.0150.27120.0916-0.2166-0.09510.15940.0374-0.06580.15210.08530.281120.504834.338930.9863
1205.79731.3331-4.94953.881-2.96745.1615-0.0614-1.15970.73451.1927-0.1244-0.4831-1.15540.37870.1610.42510.0702-0.06340.3065-0.08410.427818.197734.461337.7297
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(CHAIN A AND RESID 1:6)
2X-RAY DIFFRACTION2(CHAIN A AND RESID 7:12)
3X-RAY DIFFRACTION3(CHAIN A AND RESID 13:18)
4X-RAY DIFFRACTION4(CHAIN A AND RESID 19:24)
5X-RAY DIFFRACTION5(CHAIN A AND RESID 25:30)
6X-RAY DIFFRACTION6(CHAIN A AND RESID 31:36)
7X-RAY DIFFRACTION7(CHAIN A AND RESID 37:44)
8X-RAY DIFFRACTION8(CHAIN A AND RESID 45:49)
9X-RAY DIFFRACTION9(CHAIN A AND RESID 50:54)
10X-RAY DIFFRACTION10(CHAIN A AND RESID 55:61)
11X-RAY DIFFRACTION11(CHAIN A AND RESID 62:67)
12X-RAY DIFFRACTION12(CHAIN A AND RESID 68:71)
13X-RAY DIFFRACTION13(CHAIN A AND RESID 72:76)
14X-RAY DIFFRACTION14(CHAIN A AND RESID 77:84)
15X-RAY DIFFRACTION15(CHAIN A AND RESID 85:89)
16X-RAY DIFFRACTION16(CHAIN A AND RESID 91:97)
17X-RAY DIFFRACTION17(CHAIN A AND RESID 98:102)
18X-RAY DIFFRACTION18(CHAIN A AND RESID 103:107)
19X-RAY DIFFRACTION19(CHAIN A AND RESID 108:112)
20X-RAY DIFFRACTION20(CHAIN A AND RESID 113:117)
21X-RAY DIFFRACTION21(CHAIN B AND RESID 1:8)
22X-RAY DIFFRACTION22(CHAIN B AND RESID 9:14)
23X-RAY DIFFRACTION23(CHAIN B AND RESID 15:21)
24X-RAY DIFFRACTION24(CHAIN B AND RESID 22:26)
25X-RAY DIFFRACTION25(CHAIN B AND RESID 27:32)
26X-RAY DIFFRACTION26(CHAIN B AND RESID 33:37)
27X-RAY DIFFRACTION27(CHAIN B AND RESID 38:42)
28X-RAY DIFFRACTION28(CHAIN B AND RESID 43:47)
29X-RAY DIFFRACTION29(CHAIN B AND RESID 48:53)
30X-RAY DIFFRACTION30(CHAIN B AND RESID 54:59)
31X-RAY DIFFRACTION31(CHAIN B AND RESID 60:64)
32X-RAY DIFFRACTION32(CHAIN B AND RESID 65:70)
33X-RAY DIFFRACTION33(CHAIN B AND RESID 71:76)
34X-RAY DIFFRACTION34(CHAIN B AND RESID 77:83)
35X-RAY DIFFRACTION35(CHAIN B AND RESID 84:89)
36X-RAY DIFFRACTION36(CHAIN B AND RESID 91:95)
37X-RAY DIFFRACTION37(CHAIN B AND RESID 96:101)
38X-RAY DIFFRACTION38(CHAIN B AND RESID 102:106)
39X-RAY DIFFRACTION39(CHAIN B AND RESID 107:112)
40X-RAY DIFFRACTION40(CHAIN B AND RESID 113:117)
41X-RAY DIFFRACTION41(CHAIN C AND RESID 1:9)
42X-RAY DIFFRACTION42(CHAIN C AND RESID 10:15)
43X-RAY DIFFRACTION43(CHAIN C AND RESID 16:21)
44X-RAY DIFFRACTION44(CHAIN C AND RESID 22:26)
45X-RAY DIFFRACTION45(CHAIN C AND RESID 27:32)
46X-RAY DIFFRACTION46(CHAIN C AND RESID 33:37)
47X-RAY DIFFRACTION47(CHAIN C AND RESID 38:42)
48X-RAY DIFFRACTION48(CHAIN C AND RESID 43:47)
49X-RAY DIFFRACTION49(CHAIN C AND RESID 48:53)
50X-RAY DIFFRACTION50(CHAIN C AND RESID 54:59)
51X-RAY DIFFRACTION51(CHAIN C AND RESID 60:64)
52X-RAY DIFFRACTION52(CHAIN C AND RESID 65:72)
53X-RAY DIFFRACTION53(CHAIN C AND RESID 73:77)
54X-RAY DIFFRACTION54(CHAIN C AND RESID 78:84)
55X-RAY DIFFRACTION55(CHAIN C AND RESID 85:91)
56X-RAY DIFFRACTION56(CHAIN C AND RESID 92:97)
57X-RAY DIFFRACTION57(CHAIN C AND RESID 98:102)
58X-RAY DIFFRACTION58(CHAIN C AND RESID 103:107)
59X-RAY DIFFRACTION59(CHAIN C AND RESID 108:112)
60X-RAY DIFFRACTION60(CHAIN C AND RESID 113:117)
61X-RAY DIFFRACTION61(CHAIN D AND RESID 1:6)
62X-RAY DIFFRACTION62(CHAIN D AND RESID 7:12)
63X-RAY DIFFRACTION63(CHAIN D AND RESID 13:17)
64X-RAY DIFFRACTION64(CHAIN D AND RESID 18:22)
65X-RAY DIFFRACTION65(CHAIN D AND RESID 23:27)
66X-RAY DIFFRACTION66(CHAIN D AND RESID 28:32)
67X-RAY DIFFRACTION67(CHAIN D AND RESID 33:37)
68X-RAY DIFFRACTION68(CHAIN D AND RESID 38:44)
69X-RAY DIFFRACTION69(CHAIN D AND RESID 45:52)
70X-RAY DIFFRACTION70(CHAIN D AND RESID 53:60)
71X-RAY DIFFRACTION71(CHAIN D AND RESID 61:65)
72X-RAY DIFFRACTION72(CHAIN D AND RESID 66:70)
73X-RAY DIFFRACTION73(CHAIN D AND RESID 71:76)
74X-RAY DIFFRACTION74(CHAIN D AND RESID 77:84)
75X-RAY DIFFRACTION75(CHAIN D AND RESID 85:89)
76X-RAY DIFFRACTION76(CHAIN D AND RESID 91:95)
77X-RAY DIFFRACTION77(CHAIN D AND RESID 96:102)
78X-RAY DIFFRACTION78(CHAIN D AND RESID 103:107)
79X-RAY DIFFRACTION79(CHAIN D AND RESID 108:112)
80X-RAY DIFFRACTION80(CHAIN D AND RESID 113:117)
81X-RAY DIFFRACTION81(CHAIN E AND RESID 1:5)
82X-RAY DIFFRACTION82(CHAIN E AND RESID 6:12)
83X-RAY DIFFRACTION83(CHAIN E AND RESID 13:18)
84X-RAY DIFFRACTION84(CHAIN E AND RESID 19:23)
85X-RAY DIFFRACTION85(CHAIN E AND RESID 24:32)
86X-RAY DIFFRACTION86(CHAIN E AND RESID 33:36)
87X-RAY DIFFRACTION87(CHAIN E AND RESID 37:42)
88X-RAY DIFFRACTION88(CHAIN E AND RESID 43:47)
89X-RAY DIFFRACTION89(CHAIN E AND RESID 48:54)
90X-RAY DIFFRACTION90(CHAIN E AND RESID 55:60)
91X-RAY DIFFRACTION91(CHAIN E AND RESID 61:65)
92X-RAY DIFFRACTION92(CHAIN E AND RESID 66:70)
93X-RAY DIFFRACTION93(CHAIN E AND RESID 71:76)
94X-RAY DIFFRACTION94(CHAIN E AND RESID 77:83)
95X-RAY DIFFRACTION95(CHAIN E AND RESID 84:91)
96X-RAY DIFFRACTION96(CHAIN E AND RESID 92:97)
97X-RAY DIFFRACTION97(CHAIN E AND RESID 98:102)
98X-RAY DIFFRACTION98(CHAIN E AND RESID 103:107)
99X-RAY DIFFRACTION99(CHAIN E AND RESID 108:112)
100X-RAY DIFFRACTION100(CHAIN E AND RESID 113:117)
101X-RAY DIFFRACTION101(CHAIN F AND RESID 1:6)
102X-RAY DIFFRACTION102(CHAIN F AND RESID 7:11)
103X-RAY DIFFRACTION103(CHAIN F AND RESID 12:16)
104X-RAY DIFFRACTION104(CHAIN F AND RESID 17:21)
105X-RAY DIFFRACTION105(CHAIN F AND RESID 22:26)
106X-RAY DIFFRACTION106(CHAIN F AND RESID 27:32)
107X-RAY DIFFRACTION107(CHAIN F AND RESID 33:37)
108X-RAY DIFFRACTION108(CHAIN F AND RESID 38:42)
109X-RAY DIFFRACTION109(CHAIN F AND RESID 43:48)
110X-RAY DIFFRACTION110(CHAIN F AND RESID 49:54)
111X-RAY DIFFRACTION111(CHAIN F AND RESID 55:60)
112X-RAY DIFFRACTION112(CHAIN F AND RESID 61:65)
113X-RAY DIFFRACTION113(CHAIN F AND RESID 66:71)
114X-RAY DIFFRACTION114(CHAIN F AND RESID 72:76)
115X-RAY DIFFRACTION115(CHAIN F AND RESID 77:84)
116X-RAY DIFFRACTION116(CHAIN F AND RESID 85:92)
117X-RAY DIFFRACTION117(CHAIN F AND RESID 93:102)
118X-RAY DIFFRACTION118(CHAIN F AND RESID 103:107)
119X-RAY DIFFRACTION119(CHAIN F AND RESID 108:112)
120X-RAY DIFFRACTION120(CHAIN F AND RESID 113:117)

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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://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