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- PDB-6bo7: Crystal structure of Plasmodium vivax hypoxanthine guanine phosph... -

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基本情報

登録情報
データベース: PDB / ID: 6bo7
タイトルCrystal structure of Plasmodium vivax hypoxanthine guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine
要素Hypoxanthine phosphoribosyltransferase
キーワードTRANSFERASE/INHIBITOR / Inhibitor / Complex / Phosphonate / Phosphoribosyltransferase / TRANSFERASE / TRANSFERASE-INHIBITOR complex
機能・相同性
機能・相同性情報


hypoxanthine phosphoribosyltransferase / guanine phosphoribosyltransferase activity / hypoxanthine phosphoribosyltransferase activity / IMP salvage / purine ribonucleoside salvage / nucleotide binding / metal ion binding / cytoplasm
類似検索 - 分子機能
Hypoxanthine phosphoribosyl transferase / : / Rossmann fold - #2020 / Phosphoribosyl transferase domain / Phosphoribosyltransferase-like / Phosphoribosyltransferase domain / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
類似検索 - ドメイン・相同性
Chem-YPG / Hypoxanthine phosphoribosyltransferase / Hypoxanthine phosphoribosyltransferase
類似検索 - 構成要素
生物種Plasmodium vivax (マラリア 病原虫)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 2.856 Å
データ登録者Guddat, L.W. / Keough, D.T. / Rejman, D.
資金援助 オーストラリア, 1件
組織認可番号
National Health and Medical Research Council (NHMRC, Australia)1030353 オーストラリア
引用ジャーナル: ACS Chem. Biol. / : 2018
タイトル: Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics.
著者: Keough, D.T. / Rejman, D. / Pohl, R. / Zbornikova, E. / Hockova, D. / Croll, T. / Edstein, M.D. / Birrell, G.W. / Chavchich, M. / Naesens, L.M.J. / Pierens, G.K. / Brereton, I.M. / Guddat, L.W.
履歴
登録2017年11月18日登録サイト: RCSB / 処理サイト: RCSB
置き換え2017年12月13日ID: 5HHU
改定 1.02017年12月13日Provider: repository / タイプ: Initial release
改定 1.12018年1月31日Group: Database references / カテゴリ: citation
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.year
改定 1.22020年1月8日Group: Author supporting evidence / カテゴリ: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
改定 1.32024年3月13日Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary
カテゴリ: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / entity / pdbx_entity_nonpoly / struct_conn
Item: _chem_comp.name / _database_2.pdbx_DOI ..._chem_comp.name / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _entity.pdbx_description / _pdbx_entity_nonpoly.name / _struct_conn.pdbx_dist_value / _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.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

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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: Hypoxanthine phosphoribosyltransferase
B: Hypoxanthine phosphoribosyltransferase
C: Hypoxanthine phosphoribosyltransferase
D: Hypoxanthine phosphoribosyltransferase
E: Hypoxanthine phosphoribosyltransferase
F: Hypoxanthine phosphoribosyltransferase
G: Hypoxanthine phosphoribosyltransferase
H: Hypoxanthine phosphoribosyltransferase
I: Hypoxanthine phosphoribosyltransferase
J: Hypoxanthine phosphoribosyltransferase
K: Hypoxanthine phosphoribosyltransferase
L: Hypoxanthine phosphoribosyltransferase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)339,09451
ポリマ-332,48212
非ポリマー6,61239
00
1
A: Hypoxanthine phosphoribosyltransferase
B: Hypoxanthine phosphoribosyltransferase
C: Hypoxanthine phosphoribosyltransferase
D: Hypoxanthine phosphoribosyltransferase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)113,00716
ポリマ-110,8274
非ポリマー2,18012
0
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area11210 Å2
ΔGint-113 kcal/mol
Surface area35550 Å2
手法PISA
2
E: Hypoxanthine phosphoribosyltransferase
F: Hypoxanthine phosphoribosyltransferase
I: Hypoxanthine phosphoribosyltransferase
J: Hypoxanthine phosphoribosyltransferase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)113,03117
ポリマ-110,8274
非ポリマー2,20413
0
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area11400 Å2
ΔGint-114 kcal/mol
Surface area34860 Å2
手法PISA
3
G: Hypoxanthine phosphoribosyltransferase
H: Hypoxanthine phosphoribosyltransferase
K: Hypoxanthine phosphoribosyltransferase
L: Hypoxanthine phosphoribosyltransferase
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)113,05618
ポリマ-110,8274
非ポリマー2,22814
0
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area11250 Å2
ΔGint-125 kcal/mol
Surface area34970 Å2
手法PISA
単位格子
Length a, b, c (Å)55.784, 219.854, 254.139
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number18
Space group name H-MP22121

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要素

#1: タンパク質
Hypoxanthine phosphoribosyltransferase


分子量: 27706.842 Da / 分子数: 12 / 由来タイプ: 組換発現
由来: (組換発現) Plasmodium vivax (マラリア 病原虫)
遺伝子: PVC01_080017300, PVP01_0812500, PVT01_080017400 / 発現宿主: Escherichia coli (大腸菌)
参照: UniProt: A0A1G4HBT9, UniProt: A5K7E9*PLUS, hypoxanthine phosphoribosyltransferase
#2: 化合物...
ChemComp-MG / MAGNESIUM ION / マグネシウムジカチオン


分子量: 24.305 Da / 分子数: 27 / 由来タイプ: 合成 / : Mg
#3: 化合物
ChemComp-YPG / [3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid / [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine


分子量: 496.306 Da / 分子数: 12 / 由来タイプ: 合成 / : C14H22N6O10P2

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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: 2.56 Å3/Da / 溶媒含有率: 51.96 %
結晶化温度: 290 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 8.5
詳細: 0.3 M potassium thiocyanate, 0.1 M Bis-tris propane, pH 8.5.

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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: Australian Synchrotron / ビームライン: MX1 / 波長: 0.9 Å
検出器タイプ: ADSC QUANTUM 210r / 検出器: CCD / 日付: 2015年2月10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: 0.9 Å / 相対比: 1
反射解像度: 2.85→39.168 Å / Num. obs: 73747 / % possible obs: 99.7 % / 冗長度: 5.2 % / Net I/σ(I): 20.6
反射 シェル解像度: 2.85→2.9 Å / 冗長度: 4.9 % / Num. unique obs: 3627 / % possible all: 99.6

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解析

ソフトウェア
名称バージョン分類
PHENIX1.9_1692精密化
XDSデータ削減
Aimless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 / 解像度: 2.856→39.168 Å / SU ML: 0.42 / 交差検証法: FREE R-VALUE / σ(F): 1.33 / 位相誤差: 28.66 / 立体化学のターゲット値: ML
Rfactor反射数%反射
Rfree0.2563 1999 2.72 %
Rwork0.2304 --
obs0.2311 73367 99.23 %
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
精密化ステップサイクル: LAST / 解像度: 2.856→39.168 Å
タンパク質核酸リガンド溶媒全体
原子数21466 0 411 0 21877
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.00422375
X-RAY DIFFRACTIONf_angle_d0.83530277
X-RAY DIFFRACTIONf_dihedral_angle_d11.6968307
X-RAY DIFFRACTIONf_chiral_restr0.0353329
X-RAY DIFFRACTIONf_plane_restr0.0043748
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.8562-2.92760.42331390.36424979X-RAY DIFFRACTION97
2.9276-3.00680.36231400.33774963X-RAY DIFFRACTION99
3.0068-3.09520.32831430.31585123X-RAY DIFFRACTION100
3.0952-3.19510.32161400.2994995X-RAY DIFFRACTION100
3.1951-3.30920.3181430.29165084X-RAY DIFFRACTION100
3.3092-3.44160.36611410.2875042X-RAY DIFFRACTION99
3.4416-3.59820.30511390.30564966X-RAY DIFFRACTION98
3.5982-3.78770.36741400.29445034X-RAY DIFFRACTION98
3.7877-4.02480.20571430.21915092X-RAY DIFFRACTION99
4.0248-4.33520.20421430.18865102X-RAY DIFFRACTION100
4.3352-4.77080.1891430.15845121X-RAY DIFFRACTION100
4.7708-5.45950.18491450.1725183X-RAY DIFFRACTION100
5.4595-6.87240.2241470.2085259X-RAY DIFFRACTION100
6.8724-39.17160.2241530.19025425X-RAY DIFFRACTION99
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)
10.92420.72570.24052.0075-0.59380.7422-0.1077-0.17050.1588-0.0213-0.18120.20210.6665-0.4726-0.09170.5352-0.06570.04360.5954-0.07580.4235-27.54336.5832-120.732
23.1027-0.62280.58751.6123-0.46210.1851-0.08240.65970.4954-0.41310.0443-0.288-0.34160.31640.00430.28770.03920.00750.4701-0.02040.26221.689947.7253-122.0471
31.52940.1204-0.25872.82580.24461.85060.0319-0.17510.09320.52560.02210.7181-0.0304-0.3905-0.06160.36990.00280.07170.4077-0.03490.3259-20.44240.2965-110.2217
41.12560.4172-0.60372.88960.15383.2010.3207-0.7092-0.1060.4931-0.54280.4922-0.2897-0.26790.04170.49370.12380.20170.3885-0.0590.626-22.001543.933-103.1568
53.5966-0.94380.42423.59240.19250.11250.6534-1.129-0.83370.6619-0.26290.05370.9739-0.38130.28710.85350.1372-0.17260.37420.17550.5746-13.794325.203-104.8758
62.75480.52440.48221.222-0.19721.6522-0.03940.1485-0.51910.2183-0.005-0.02150.4190.07710.04430.38010.05030.03790.3791-0.09450.2918-10.530631.6176-117.2546
70.3572-0.2189-0.47930.16890.17070.7834-0.15740.9611-0.2273-0.28380.2104-0.5206-0.80260.3077-0.03820.177-0.09480.03110.6742-0.04650.67258.465267.9983-123.1288
873.5079-2.93332.2182-0.88061.8919-0.77030.6469-0.3542-1.07450.46930.99510.1506-0.65-0.250.5074-0.0361-0.02970.6690.00680.4777-16.550254.5692-127.8864
91.68590.49870.6071.71650.1481.9950.29130.0337-0.23870.2658-0.2013-0.2136-0.1940.1752-0.03360.25990.0186-0.04520.3769-0.00060.299-11.590459.1787-117.2287
100.88881.1437-0.88742.4077-0.96091.73590.3462-0.2133-0.38310.6753-0.0968-0.2328-0.2010.83110.05110.51020.0002-0.12260.53410.0160.47692.521867.1232-106.434
116.1658-1.0076-1.91773.9361-1.51774.95080.93510.02232.0071-0.17970.85520.0764-1.1897-0.39651.01610.5765-0.1675-0.23470.4051-0.24040.3581-5.50881.9827-109.1702
123.38450.33960.43251.6202-0.31372.8805-0.2714-0.86791.10110.0039-0.14920.0812-1.3557-0.9519-0.00090.4045-0.08180.00510.45320.03950.35270.517377.9651-115.0709
130.8380.4734-0.27031.2663-0.56421.19410.0790.13210.5291-0.0549-0.0174-0.2159-0.55560.3297-0.00630.40730.0092-0.03780.57850.10160.4196-0.550277.4419-122.301
143.7191-0.9943-0.41612.2323-0.38351.64290.04110.07280.3834-0.29060.18060.29980.0541-0.0865-0.06570.36920.0711-0.05240.34780.11320.3614-20.937667.5154-121.6207
151.45360.03230.54411.8389-0.21831.584-0.20460.00670.12511.02560.09670.19770.51830.1060.01060.99530.2676-0.12240.4488-0.05830.1777-6.785745.7472-84.6641
161.40450.0914-0.43581.92840.42042.1448-0.0780.01830.2030.23710.2335-0.23710.08850.1695-0.01930.50470.1496-0.07140.4198-0.03470.2533-2.751244.0057-95.7669
172.8292-0.0850.01563.3004-0.67423.2844-0.60320.18180.36660.7364-0.0988-0.53480.11020.8438-0.64230.39730.1569-0.19580.4088-0.01610.38123.961836.0699-103.2428
183.16012.1145-0.31792.5138-1.14590.7888-0.73410.5779-1.61690.38540.5552-1.8380.8567-0.1642-0.19960.91260.5257-0.32730.11160.3107-0.14641.062227.7953-91.3113
190.0488-0.06440.10660.108-0.01130.2155-0.08990.0003-0.67770.5387-0.0925-0.06230.61651.0264-1.25461.32790.672-0.34310.71620.11310.3223-1.234535.8958-79.5563
201.8796-0.25520.3582.62490.7831.3029-0.2703-0.2599-0.37480.80810.08870.7406-0.0919-0.5251-0.04850.84490.20130.20110.47960.09610.3716-20.02139.1213-86.5484
212.6089-1.0758-0.18342.7724-0.27730.34390.1494-1.076-0.05790.64750.27940.3131-0.383-0.48390.08790.74470.06290.15440.55580.02980.5068-23.99769.6052-84.7126
224.46911.9967-0.23523.5433-1.88752.2763-0.0845-0.05820.35360.47660.348-0.5655-0.52740.4295-0.03380.79640.2082-0.31290.5815-0.28390.32242.534358.6142-87.5714
230.859-1.03210.00281.9003-0.50091.95850.36670.1669-0.61460.33590.09640.31760.21790.1646-0.0290.53820.1613-0.0370.3851-0.00190.254-11.957261.6622-91.581
242.73840.719-1.07411.7626-0.642.20620.36020.2113-0.2388-0.1467-0.10280.1661-0.2536-0.0498-0.03620.58490.09890.06890.3967-0.01760.4324-22.839172.6123-101.458
251.29970.49610.05733.3493-0.38951.70320.01260.22760.02690.2638-0.03640.0290.1514-0.042-0.04570.29680.03320.00510.33210.00690.4083-18.311762.6106-103.194
261.82160.0126-0.26173.5166-0.29952.25590.07880.14090.2360.7974-0.30540.37760.43910.07830.01520.4664-0.04920.01150.47970.02520.4444-23.190571.5479-106.188
272.0583-0.00380.96011.1588-0.40791.09620.0940.3880.7731-0.3093-0.42750.5617-0.49480.09190.03980.73760.1095-0.00960.3310.14280.4886-21.298882.8194-101.3405
281.6882-1.01432.10361.3535-1.87313.19530.1907-0.14060.58030.2417-0.0603-0.394-0.20540.14620.01320.81890.08980.04950.4893-0.03420.393-18.382983.2561-90.9181
290.67870.1928-0.2021.15160.86860.7634-0.2751-0.54580.42890.72410.32130.3601-0.3944-0.32820.02340.76860.11950.03090.4413-0.09280.4401-20.227575.9422-88.0985
301.6126-0.4797-1.3241.5466-0.8021.8873-0.26580.04440.42890.4440.1863-0.51170.25250.3918-0.02890.56720.0524-0.16760.5759-0.06450.43590.570470.9449-89.0214
311.6317-0.32560.69341.028-0.74541.79560.2332-0.3475-0.7698-0.11030.00080.2764-0.488-0.55440.17050.55150.27920.00530.615-0.00660.4021-14.66411.9713-90.8918
322.81640.57610.38891.8083-1.10112.5387-0.0252-0.6073-0.162-0.2364-0.0102-0.4112-0.76380.3059-0.00130.5589-0.0983-0.090.43460.0070.486812.5171-2.0404-85.053
331.6207-0.34720.22681.34730.18513.14220.07230.1445-0.58110.11110.12460.2477-0.0715-0.4953-0.00360.2680.07650.00270.5109-0.02470.4904-10.6426-9.9406-96.2497
340.63760.1204-1.03124.784-2.93944.48730.00530.2812-0.7718-0.1832-0.3212-0.23120.7188-0.8061-0.00210.4585-0.123-0.010.4737-0.08770.467-6.8108-15.9672-96.276
352.82010.16831.23931.06041.18832.2165-0.198-0.0579-0.7974-0.44130.30020.21110.18250.0686-0.07960.54390.1997-0.01560.719-0.03260.6373-12.4211-12.8259-107.1778
361.8927-0.1264-0.46391.5750.1340.9645-0.14240.39840.1974-0.26180.07080.2999-0.7662-0.55020.09280.60760.1902-0.14250.5531-0.06890.4647-11.4192.8356-102.0643
373.23240.5929-1.02191.4386-0.2122.5373-0.1320.16850.25130.22490.2138-0.2078-0.8380.24110.01170.5808-0.0984-0.0970.36080.01880.4099.88042.6798-94.6375
383.3616-0.54110.74381.6295-0.43421.7022-0.4993-1.01511.01270.28710.4913-0.7561-0.41940.46520.09440.5196-0.1108-0.01680.5058-0.01110.498718.8868-11.2022-67.7053
394.3240.9289-0.19092.4512-0.54932.2227-0.7222-0.3550.7941-0.16240.15820.4939-0.6888-0.898-0.13540.38230.16040.0580.5681-0.06750.4456-10.2635-10.0081-75.6075
401.3946-0.99390.88642.8489-0.19791.88590.21260.3174-0.1442-0.2476-0.12750.047-0.23840.50410.08620.3281-0.0385-0.01430.36650.05480.349314.2275-19.8694-75.9278
410.770.5911-0.62342.1055-1.08745.16360.31440.6181-0.3001-0.0593-0.18670.05880.6359-0.02190.17940.40310.01150.07280.46140.0960.410611.5859-23.2265-81.8482
424.22860.9251-0.98742.2694-0.0945.1631-0.29720.9549-0.4827-0.07320.2313-0.05030.5422-0.2587-0.05490.33470.04380.0540.35450.01940.423617.1648-29.619-75.3588
432.26081.73451.03293.3299-0.57691.3897-0.97390.0496-0.8892-0.46490.6680.03251.0657-0.28530.21320.8876-0.0495-0.10980.31270.18190.777511.8622-34.4899-60.7992
441.43580.4438-0.64942.21881.08862.4441-0.1711-0.2325-0.30890.3533-0.0313-0.02880.2308-0.32040.09350.46340.0910.00110.31990.04180.330813.8514-23-64.8844
450.70580.0449-0.22820.0003-0.04770.8886-0.1104-0.6517-0.41540.22930.16290.14130.44070.50050.05820.50470.00810.03170.50490.11120.282914.5222-22.9206-60.6523
460.11630.02530.31330.1818-0.07620.74960.0012-0.60480.24620.4418-0.0254-0.0493-0.38020.21740.03860.68610.0276-0.06980.6097-0.18110.390410.0064-11.3631-61.0796
474.01591.5414-0.4832.5812-0.02781.7903-0.1328-0.42030.2061.0717-0.25540.2276-0.2342-0.58290.05310.46180.03950.14680.4786-0.00380.4112-3.8606-16.6948-67.2309
481.84140.38010.08551.18450.29210.45510.06830.4707-0.39530.0780.38590.0048-0.4425-0.79270.04450.45120.0070.19580.6840.02260.5306-12.1737-17.6355-68.1687
492.6524-1.26280.49431.88270.08782.00720.0548-0.11650.350.0586-0.1236-0.3186-0.1084-0.10560.00510.27040.01790.0470.3513-0.03140.4905-26.203124.9757-21.4434
504.38410.7514-0.68532.4285-0.71053.35610.97810.1558-0.08790.2198-0.305-0.4186-0.1869-0.0708-0.00190.3521-0.05860.06710.3859-0.06640.5209-20.40289.601-18.6861
516.23920.03912.2081.2301-1.07851.7549-0.1222-1.0355-0.562-0.24930.07220.85050.2024-1.41730.07031.1893-0.0396-0.18961.1988-0.11390.9372-29.99767.3314-5.6369
521.9771-0.6372-0.17651.89760.93141.6937-0.1073-0.19820.09940.3701-0.0280.1485-0.0625-0.237-0.09390.29170.04930.06730.4709-0.08440.399-32.221424.0119-11.4177
530.66-0.49830.23030.578-0.2140.76990.08190.44430.4643-0.10230.06460.1188-0.36640.7130.12190.62030.10830.06820.46330.07490.758-38.260247.0417-42.1837
543.3090.54720.15621.1676-1.16672.4557-0.2631-0.59130.31260.92580.1791-0.5093-0.9660.5983-0.08740.437-0.0010.04760.4081-0.04620.6823-15.257336.35-29.5132
551.1657-0.09310.86870.77630.22162.40720.5940.3395-0.0607-0.3422-0.37180.18930.1289-0.3667-0.0280.55690.2330.01240.45950.07180.5499-36.10134.123-46.4112
561.26660.8713-1.381.6283-0.59971.67470.23490.0098-0.0843-0.6342-0.00790.21710.02090.1054-0.01580.63950.181-0.03630.53440.01930.4626-35.021328.8172-50.6328
573.132-1.8914-1.28941.9017-0.46482.5275-0.15540.6937-0.1389-0.14090.1448-1.2076-0.30940.6479-0.06741.0350.0050.08050.84890.13770.8322-26.570340.3416-64.3823
580.7197-0.38060.393.1511.36644.26120.26840.96380.4339-0.42660.228-0.6947-0.09510.88150.75840.71790.20050.07960.45290.20740.572-31.329845.4761-56.4772
591.57080.3548-0.16710.1941-0.03590.15370.7736-0.04410.50950.0856-0.16750.1147-0.395-0.19980.12550.70240.25930.13430.31830.13190.7976-32.618247.4297-47.2602
602.943-0.2369-0.53741.1374-0.1890.6805-0.29620.13150.3884-0.17270.3195-0.6517-0.03060.2453-0.02760.5211-0.03930.13370.3431-0.01190.7054-14.176740.8971-39.5039
611.64010.04830.71552.03011.20172.83810.05950.0776-0.05140.0075-0.092-0.08290.24970.04790.05110.2628-0.05030.03090.2926-0.02650.40927.4014-24.4725-105.3841
622.6205-0.59960.27220.63420.72681.29250.9849-0.252-0.3523-0.93250.0163-0.4210.18050.56890.20360.9298-0.0942-0.0930.9228-0.1430.780121.081-9.3482-96.0204
634.44621.36334.07180.9391.32567.8630.8462-0.05980.1173-0.70010.34911.2705-0.06490.5930.37650.55470.0573-0.16270.22320.22780.74195.1843-7.5298-115.7721
641.39990.4604-0.21031.64840.20152.2086-0.05760.3604-0.0019-0.4340.0038-0.0376-0.12-0.1040.03240.3683-0.03850.05110.4233-0.10370.33943.9702-21.9819-115.9074
654.31440.8292-1.55921.3471-0.69771.917-0.11740.6109-1.0434-0.13160.1699-0.17920.5602-0.48880.5250.7167-0.2690.1110.3797-0.08950.5842-7.8362-47.8157-88.5723
662.3545-0.976-0.11480.8768-0.93752.0297-0.14550.8376-0.706-0.58230.3377-0.9330.69240.37860.03860.42820.07130.11130.4006-0.10220.572817.0259-36.2379-95.8379
671.27030.6479-0.40270.7751-0.22422.44930.06970.04270.02330.3034-0.03130.3330.2279-0.37110.01310.5105-0.19380.13240.4186-0.08190.6083-6.6408-35.2744-83.2063
681.3838-0.1028-0.45661.8092-0.22911.89250.16780.2375-0.0538-0.1389-0.18150.6323-0.146-0.41930.03330.3596-0.0650.09020.54590.03940.4873-9.064-27.6331-81.2381
693.7166-4.252.04577.7034-1.15963.83910.229-0.25890.06611.010.0019-0.58331.11720.20140.19620.8741-0.12160.22790.55570.0290.53170.7267-39.8845-67.9451
702.1901-0.1351-1.58742.46281.35034.74180.3205-0.56-0.33790.34920.38210.11350.3030.61120.33710.6787-0.1990.31310.3070.04860.7129-5.073-43.3114-74.2067
711.3132-0.42351.03590.7096-0.17860.81680.0514-0.4818-0.43370.33970.00950.55640.9127-0.20320.11320.6678-0.18230.17960.4358-0.00440.7935-3.2768-49.2563-78.1066
722.98080.11220.4710.8981-0.16061.12520.0891-0.3922-0.3714-0.2177-0.1216-0.46480.00580.2720.04640.47660.07480.07940.44860.04530.633616.2712-41.4846-86.2151
732.3786-0.2564-1.78361.3669-0.49542.37110.14410.94690.1385-0.47270.1059-0.14030.00060.11710.07030.55940.17250.13190.5865-0.05090.5474-11.23197.9768-56.2415
742.06770.32470.85461.2612-1.27842.21190.13720.1381-0.2231-0.88280.19690.5812-0.0255-0.5871-0.0160.62160.0721-0.110.5736-0.06480.4553-39.13959.0822-52.2717
752.16390.4801-1.34882.6280.02371.70880.4679-0.1670.1362-0.2547-0.4525-0.297-0.21090.50090.04060.460.04410.13540.44130.04080.4438-14.309618.6486-48.3639
761.8336-0.5516-0.16894.4175-0.91446.20730.1175-0.45680.23120.0715-0.13170.0849-0.0396-0.24320.05420.44350.07450.08220.4830.09720.575-18.521422.0742-44.8724
773.75522.8798-3.31662.3442-2.34193.14640.7286-0.56170.6677-0.434-0.1906-0.4571-0.55371.6951-0.02260.99960.18170.00531.1507-0.11530.8776-7.449124.5921-36.9655
781.95510.46621.40541.36681.21266.6594-0.25970.390.8547-0.59150.12090.1043-0.8642-0.3282-0.16580.81610.10110.14240.61430.42250.8847-16.020730.5642-60.903
791.4195-0.33480.21160.8333-0.07350.97940.36230.81950.3013-0.6413-0.2816-0.2056-0.22730.23120.00420.80130.1580.2480.64750.14850.5037-11.014121.5467-61.8254
800.20510.1346-0.27090.1874-0.0021.1111-0.02630.6243-0.2842-0.8747-0.3057-0.81670.0272-0.1034-0.02370.66050.15470.20410.6868-0.07720.5194-15.4939.1228-63.199
812.1355-0.56630.23311.3241-0.49331.75610.13940.3407-0.188-0.4550.06630.4140.0308-0.49780.00610.64680.1526-0.07560.693-0.06310.4591-34.735714.9444-60.5271
822.90860.6351-0.1773.0917-0.60182.1167-0.0730.1784-0.0563-0.2886-0.00390.13880.2344-0.15780.01380.40210.0544-0.00560.3079-0.06750.3715-32.3032.5965-38.1756
832.10331.2844-1.20952.03010.25392.39980.08610.23410.43640.179-0.05170.1241-0.3047-0.5592-0.06980.28040.06990.09810.52480.02270.4973-41.632312.9737-29.143
843.88640.1241-1.16691.50511.96763.08130.31250.1876-0.27460.25060.03971.0056-0.08540.4445-0.26790.50990.05990.04250.62350.01830.7352-44.260811.1697-21.6938
853.2551-1.5084-0.5293.02210.38281.63940.4393-0.78260.00360.13020.0061-0.03820.3908-0.57660.04630.2944-0.12720.07610.5937-0.02620.5864-45.35412.6131-22.5686
861.80150.03240.60521.54360.24472.54930.2577-0.1778-0.42310.1242-0.18920.16940.3224-0.05030.03030.3853-0.03570.05240.31780.02630.5118-33.3088-3.3502-27.634
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid -1 through 18 )
2X-RAY DIFFRACTION2chain 'A' and (resid 19 through 46 )
3X-RAY DIFFRACTION3chain 'A' and (resid 47 through 79 )
4X-RAY DIFFRACTION4chain 'A' and (resid 80 through 105 )
5X-RAY DIFFRACTION5chain 'A' and (resid 106 through 132 )
6X-RAY DIFFRACTION6chain 'A' and (resid 133 through 228 )
7X-RAY DIFFRACTION7chain 'B' and (resid -1 through 18 )
8X-RAY DIFFRACTION8chain 'B' and (resid 19 through 29 )
9X-RAY DIFFRACTION9chain 'B' and (resid 30 through 64 )
10X-RAY DIFFRACTION10chain 'B' and (resid 65 through 105 )
11X-RAY DIFFRACTION11chain 'B' and (resid 106 through 132 )
12X-RAY DIFFRACTION12chain 'B' and (resid 133 through 150 )
13X-RAY DIFFRACTION13chain 'B' and (resid 151 through 190 )
14X-RAY DIFFRACTION14chain 'B' and (resid 191 through 228 )
15X-RAY DIFFRACTION15chain 'C' and (resid 1 through 36 )
16X-RAY DIFFRACTION16chain 'C' and (resid 37 through 96 )
17X-RAY DIFFRACTION17chain 'C' and (resid 97 through 114 )
18X-RAY DIFFRACTION18chain 'C' and (resid 115 through 176 )
19X-RAY DIFFRACTION19chain 'C' and (resid 177 through 190 )
20X-RAY DIFFRACTION20chain 'C' and (resid 191 through 228 )
21X-RAY DIFFRACTION21chain 'D' and (resid 2 through 21 )
22X-RAY DIFFRACTION22chain 'D' and (resid 22 through 36 )
23X-RAY DIFFRACTION23chain 'D' and (resid 37 through 64 )
24X-RAY DIFFRACTION24chain 'D' and (resid 65 through 79 )
25X-RAY DIFFRACTION25chain 'D' and (resid 80 through 96 )
26X-RAY DIFFRACTION26chain 'D' and (resid 97 through 114 )
27X-RAY DIFFRACTION27chain 'D' and (resid 115 through 144 )
28X-RAY DIFFRACTION28chain 'D' and (resid 145 through 162 )
29X-RAY DIFFRACTION29chain 'D' and (resid 163 through 190 )
30X-RAY DIFFRACTION30chain 'D' and (resid 191 through 228 )
31X-RAY DIFFRACTION31chain 'E' and (resid 2 through 21 )
32X-RAY DIFFRACTION32chain 'E' and (resid 22 through 46 )
33X-RAY DIFFRACTION33chain 'E' and (resid 47 through 79 )
34X-RAY DIFFRACTION34chain 'E' and (resid 80 through 96 )
35X-RAY DIFFRACTION35chain 'E' and (resid 97 through 135 )
36X-RAY DIFFRACTION36chain 'E' and (resid 136 through 190 )
37X-RAY DIFFRACTION37chain 'E' and (resid 191 through 228 )
38X-RAY DIFFRACTION38chain 'F' and (resid 0 through 19 )
39X-RAY DIFFRACTION39chain 'F' and (resid 20 through 46 )
40X-RAY DIFFRACTION40chain 'F' and (resid 47 through 79 )
41X-RAY DIFFRACTION41chain 'F' and (resid 80 through 96 )
42X-RAY DIFFRACTION42chain 'F' and (resid 97 through 114 )
43X-RAY DIFFRACTION43chain 'F' and (resid 115 through 135 )
44X-RAY DIFFRACTION44chain 'F' and (resid 136 through 150 )
45X-RAY DIFFRACTION45chain 'F' and (resid 151 through 176 )
46X-RAY DIFFRACTION46chain 'F' and (resid 177 through 190 )
47X-RAY DIFFRACTION47chain 'F' and (resid 191 through 208 )
48X-RAY DIFFRACTION48chain 'F' and (resid 209 through 228 )
49X-RAY DIFFRACTION49chain 'G' and (resid 2 through 96 )
50X-RAY DIFFRACTION50chain 'G' and (resid 97 through 114 )
51X-RAY DIFFRACTION51chain 'G' and (resid 115 through 135 )
52X-RAY DIFFRACTION52chain 'G' and (resid 136 through 228 )
53X-RAY DIFFRACTION53chain 'H' and (resid 2 through 21 )
54X-RAY DIFFRACTION54chain 'H' and (resid 22 through 46 )
55X-RAY DIFFRACTION55chain 'H' and (resid 47 through 79 )
56X-RAY DIFFRACTION56chain 'H' and (resid 80 through 114 )
57X-RAY DIFFRACTION57chain 'H' and (resid 115 through 135 )
58X-RAY DIFFRACTION58chain 'H' and (resid 136 through 163 )
59X-RAY DIFFRACTION59chain 'H' and (resid 164 through 190 )
60X-RAY DIFFRACTION60chain 'H' and (resid 191 through 228 )
61X-RAY DIFFRACTION61chain 'I' and (resid 2 through 94 )
62X-RAY DIFFRACTION62chain 'I' and (resid 95 through 105 )
63X-RAY DIFFRACTION63chain 'I' and (resid 106 through 132 )
64X-RAY DIFFRACTION64chain 'I' and (resid 133 through 228 )
65X-RAY DIFFRACTION65chain 'J' and (resid 2 through 21 )
66X-RAY DIFFRACTION66chain 'J' and (resid 22 through 46 )
67X-RAY DIFFRACTION67chain 'J' and (resid 47 through 79 )
68X-RAY DIFFRACTION68chain 'J' and (resid 80 through 105 )
69X-RAY DIFFRACTION69chain 'J' and (resid 106 through 132 )
70X-RAY DIFFRACTION70chain 'J' and (resid 133 through 150 )
71X-RAY DIFFRACTION71chain 'J' and (resid 151 through 190 )
72X-RAY DIFFRACTION72chain 'J' and (resid 191 through 228 )
73X-RAY DIFFRACTION73chain 'K' and (resid 2 through 21 )
74X-RAY DIFFRACTION74chain 'K' and (resid 22 through 46 )
75X-RAY DIFFRACTION75chain 'K' and (resid 47 through 79 )
76X-RAY DIFFRACTION76chain 'K' and (resid 80 through 94 )
77X-RAY DIFFRACTION77chain 'K' and (resid 95 through 105 )
78X-RAY DIFFRACTION78chain 'K' and (resid 106 through 132 )
79X-RAY DIFFRACTION79chain 'K' and (resid 133 through 176 )
80X-RAY DIFFRACTION80chain 'K' and (resid 177 through 190 )
81X-RAY DIFFRACTION81chain 'K' and (resid 191 through 228 )
82X-RAY DIFFRACTION82chain 'L' and (resid 2 through 64 )
83X-RAY DIFFRACTION83chain 'L' and (resid 65 through 96 )
84X-RAY DIFFRACTION84chain 'L' and (resid 97 through 131 )
85X-RAY DIFFRACTION85chain 'L' and (resid 132 through 150 )
86X-RAY DIFFRACTION86chain 'L' and (resid 151 through 228 )

+
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

-
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

+
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