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- PDB-7un4: Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethy... -

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基本情報

登録情報
データベース: PDB / ID: 7un4
タイトルStructure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
要素Dual specificity protein phosphatase 10
キーワードHYDROLASE/INHIBITOR / phosphatase / protein-tyrosine phosphatase / dual specificity phosphatase / phosphatase-inhibitor complex / HYDROLASE-INHIBITOR complex
機能・相同性
機能・相同性情報


negative regulation of epithelium regeneration / MAP kinase phosphatase activity / protein tyrosine/threonine phosphatase activity / MAP kinase tyrosine phosphatase activity / MAP kinase tyrosine/serine/threonine phosphatase activity / regulation of adaptive immune response / regulation of brown fat cell differentiation / negative regulation of epithelial cell migration / negative regulation of p38MAPK cascade / negative regulation of oligodendrocyte differentiation ...negative regulation of epithelium regeneration / MAP kinase phosphatase activity / protein tyrosine/threonine phosphatase activity / MAP kinase tyrosine phosphatase activity / MAP kinase tyrosine/serine/threonine phosphatase activity / regulation of adaptive immune response / regulation of brown fat cell differentiation / negative regulation of epithelial cell migration / negative regulation of p38MAPK cascade / negative regulation of oligodendrocyte differentiation / Signaling by MAPK mutants / RAF-independent MAPK1/3 activation / JUN kinase binding / dephosphorylation / negative regulation of stress-activated MAPK cascade / negative regulation of JNK cascade / positive regulation of regulatory T cell differentiation / mitogen-activated protein kinase p38 binding / protein-serine/threonine phosphatase / protein serine/threonine phosphatase activity / phosphatase activity / oligodendrocyte differentiation / negative regulation of respiratory burst involved in inflammatory response / stress-activated MAPK cascade / protein-tyrosine-phosphatase / negative regulation of cell migration / negative regulation of ERK1 and ERK2 cascade / negative regulation of epithelial cell proliferation / Negative regulation of MAPK pathway / response to lipopolysaccharide / signal transduction / nucleoplasm / nucleus / cytoplasm / cytosol
類似検索 - 分子機能
Mitogen-activated protein (MAP) kinase phosphatase / Dual specificity phosphatase, catalytic domain / Dual specificity phosphatase, catalytic domain / Dual specificity phosphatase, catalytic domain / Rhodanese Homology Domain / Dual specificity protein phosphatase domain profile. / Dual specificity protein phosphatase domain / Rhodanese-like domain / Rhodanese domain profile. / Rhodanese-like domain superfamily ...Mitogen-activated protein (MAP) kinase phosphatase / Dual specificity phosphatase, catalytic domain / Dual specificity phosphatase, catalytic domain / Dual specificity phosphatase, catalytic domain / Rhodanese Homology Domain / Dual specificity protein phosphatase domain profile. / Dual specificity protein phosphatase domain / Rhodanese-like domain / Rhodanese domain profile. / Rhodanese-like domain superfamily / Rhodanese-like domain / Tyrosine specific protein phosphatases active site. / Protein-tyrosine phosphatase, active site / Tyrosine specific protein phosphatases domain profile. / Tyrosine-specific protein phosphatases domain / Protein-tyrosine phosphatase-like
類似検索 - ドメイン・相同性
Chem-NVF / Dual specificity protein phosphatase 10
類似検索 - 構成要素
生物種Homo sapiens (ヒト)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 2.7 Å
データ登録者Gannam, Z.T.K. / Jamali, H. / Lolis, E. / Anderson, K.S. / Ellman, J.A. / Bennett, A.M.
資金援助 米国, 4件
組織認可番号国
National Institutes of Health/National Institute of Arthritis and Musculoskeletal and Skin Diseases (NIH/NIAMS)AR66003 米国
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM122473 米国
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)AI055403 米国
National Institutes of Health/National Institute on Minority Health and Health Disparities (NIH/NIMHD)MD122473 米国
引用ジャーナル: Eur.J.Med.Chem. / 年: 2022
タイトル: Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
著者: Gannam, Z.T.K. / Jamali, H. / Kweon, O.S. / Herrington, J. / Shillingford, S.R. / Papini, C. / Gentzel, E. / Lolis, E. / Bennett, A.M. / Ellman, J.A. / Anderson, K.S.
履歴
登録2022年4月8日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02022年10月5日Provider: repository / タイプ: Initial release
改定 1.12023年10月18日Group: Data collection / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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構造の表示

構造ビューア分子:
MolmilJmol/JSmol

ダウンロードとリンク

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集合体

登録構造単位
A: Dual specificity protein phosphatase 10
B: Dual specificity protein phosphatase 10
C: Dual specificity protein phosphatase 10
D: Dual specificity protein phosphatase 10
E: Dual specificity protein phosphatase 10
F: Dual specificity protein phosphatase 10
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)106,61112
ポリマ－104,7006
非ポリマー1,9116
水00
1
A: Dual specificity protein phosphatase 10
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)17,7682
ポリマ－17,4501
非ポリマー3181
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
2
B: Dual specificity protein phosphatase 10
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)17,7682
ポリマ－17,4501
非ポリマー3181
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
3
C: Dual specificity protein phosphatase 10
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)17,7682
ポリマ－17,4501
非ポリマー3181
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
4
D: Dual specificity protein phosphatase 10
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)17,7682
ポリマ－17,4501
非ポリマー3181
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
5
E: Dual specificity protein phosphatase 10
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)17,7682
ポリマ－17,4501
非ポリマー3181
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
6
F: Dual specificity protein phosphatase 10
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)17,7682
ポリマ－17,4501
非ポリマー3181
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
単位格子
Length a, b, c (Å)65.262, 130.756, 83.598
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID
11
21
31
41
51
61

NCSドメイン領域:

Ens-ID: 1 / Beg auth comp-ID: THR / Beg label comp-ID: THR / End auth comp-ID: ASN / End label comp-ID: ASN / Auth seq-ID: 323 - 464 / Label seq-ID: 8 - 149

Dom-IDComponent-IDSelection detailsAuth asym-IDLabel asym-ID
11(chain 'A' and (resid 323 through 340 or (resid 341...AA
22(chain 'B' and (resid 323 through 340 or (resid 341...BB
33(chain 'C' and (resid 323 through 427 or (resid 428...CC
44(chain 'D' and (resid 323 through 340 or (resid 341...DD
55(chain 'E' and (resid 323 through 340 or (resid 341...EE
66(chain 'F' and (resid 323 through 340 or (resid 341...FF

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要素

#1: タンパク質
Dual specificity protein phosphatase 10 / Mitogen-activated protein kinase phosphatase 5 / MKP-5


分子量: 17449.961 Da / 分子数: 6 / 断片: UNP residues 320-467 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: DUSP10, MKP5 / 発現宿主: Escherichia coli BL21(DE3) (大腸菌)
参照: UniProt: Q9Y6W6, protein-serine/threonine phosphatase, protein-tyrosine-phosphatase
#2: 化合物
ChemComp-NVF / 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one


分子量: 318.457 Da / 分子数: 6 / 由来タイプ: 合成 / 式: C16H18N2OS2 / タイプ: SUBJECT OF INVESTIGATION
研究の焦点であるリガンドがあるかY

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実験情報

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実験

実験手法: X線回折 / 使用した結晶の数: 1

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試料調製

結晶マシュー密度: 3.48 Å3/Da / 溶媒含有率: 64.7 %
結晶化温度: 277 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 8.5
詳細: 100 mM Tris, pH 8.5, 200 mM ammonium acetate, 20% w/v PEG3350

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データ収集

回折平均測定温度: 100 K / Serial crystal experiment: N
放射光源由来: シンクロトロン / サイト: APS / ビームライン: 24-ID-E / 波長: 0.9798 Å
検出器タイプ: DECTRIS EIGER X 16M / 検出器: PIXEL / 日付: 2018年2月9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: 0.9798 Å / 相対比: 1
反射解像度: 2.7→47.87 Å / Num. obs: 32190 / % possible obs: 82.4 % / 冗長度: 1.63 % / CC1/2: 0.997 / Net I/σ(I): 6
反射 シェル解像度: 2.7→2.77 Å / 冗長度: 1.61 % / Mean I/σ(I) obs: 0.59 / Num. unique obs: 2051 / CC1/2: 0.322 / % possible all: 71.6

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解析

ソフトウェア
名称バージョン分類
Cootモデル構築
PHENIX1.16_3549精密化
XDSデータ削減
PHASER位相決定
XDSデータ削減
精密化構造決定の手法: 分子置換
開始モデル: PDB entry 6MC1

6mc1


解像度: 2.7→46.19 Å / SU ML: 0.537 / 交差検証法: FREE R-VALUE / σ(F): 1.38 / 位相誤差: 30.9298
立体化学のターゲット値: GeoStd + Monomer Library + CDL v1.2
Rfactor反射数%反射
Rfree0.263 2026 8.55 %
Rwork0.2027 21665 -
obs0.2078 23691 61.49 %
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL
原子変位パラメータBiso mean: 80.62 Å2
精密化ステップサイクル: LAST / 解像度: 2.7→46.19 Å
タンパク質核酸リガンド溶媒全体
原子数7023 0 126 0 7149
拘束条件
Refine-IDタイプDev ideal数
X-RAY DIFFRACTIONf_bond_d0.00277318
X-RAY DIFFRACTIONf_angle_d0.54219913
X-RAY DIFFRACTIONf_chiral_restr0.04181068
X-RAY DIFFRACTIONf_plane_restr0.00361280
X-RAY DIFFRACTIONf_dihedral_angle_d11.58754341
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.7-2.770.40631540.36651620X-RAY DIFFRACTION64.04
2.77-2.840.4051690.3261852X-RAY DIFFRACTION74.14
2.84-2.930.4231740.31541768X-RAY DIFFRACTION71.69
2.93-3.020.31791580.29851729X-RAY DIFFRACTION69.02
3.02-3.130.33591510.29481674X-RAY DIFFRACTION65.6
3.13-3.250.34021620.24411666X-RAY DIFFRACTION67.5
3.25-3.40.32481500.24081613X-RAY DIFFRACTION63.99
3.4-3.580.31211580.22751538X-RAY DIFFRACTION61.52
3.58-3.810.26221270.21331450X-RAY DIFFRACTION57.3
3.81-4.10.27521290.18541447X-RAY DIFFRACTION56.87
4.1-4.510.22591190.15221275X-RAY DIFFRACTION51.48
4.51-5.160.18081240.13951310X-RAY DIFFRACTION51.69
5.16-6.50.22951270.17241363X-RAY DIFFRACTION53.67
6.5-46.190.18911240.15721360X-RAY DIFFRACTION52.92
精密化 TLS

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

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
11.495595272960.9870940972121.138537388950.5400941584481.021016833334.008341200730.604551862338-0.1545025097670.622312154358-0.2413472136690.2347050901410.271617399975-0.109710268919-0.5292856727990.3118117291910.743868864757-0.0708706475754-0.07976343168570.803112170919-0.169899917790.660718597431-39.17569260957.86550739155-24.2383990873
22.64147219808-0.3875266647030.2238079098363.96748895392-3.66657029134.16615697589-0.1670663099-0.874853657335-0.2424840003630.04518559471151.101151432492.02148626938-0.370194026991-0.2318014467970.7326302972510.789041115676-0.0131979589813-0.2702722544280.8692905087540.01033223689071.01571393998-36.45491670319.86332983763-18.4928060354
33.821554123181.07369466616-1.664339659234.736654057682.090709798556.498101236870.226183285916-0.399753955394-1.01269288142-0.168837321060.01031024707870.986357006280.7068905006810.0316652173393-0.09502725481130.7281927605160.140766657939-0.2133441713240.523983491644-0.003633426189950.896026039077-31.31923523835.33296287416-16.5343605435
46.847913802555.92320503241.059992945375.56326038025-1.837028808184.59190371895-0.5494885941550.4371997939580.4642457413510.0869638322653-0.00425012145851-0.17794476226-0.2768141986720.4678470206740.4071526668050.6655652848870.0773692762021-0.07649750321250.556906058650.02520793658250.767497700658-22.604775954610.3862670682-21.5427389457
58.88362758377-1.59613765768-3.574475907564.053182766481.931757495383.44367366910.15752743191-0.151653168084-0.0780732023505-0.4986216183881.15923826298-0.06031638555090.976376847767-0.0524078214861-0.6934261183320.902985800918-0.0368498680814-0.4454569775890.6325773146950.09950480452960.990378426397-30.38835083217.75725812289-22.9884673696
64.72740332546-2.013861915220.6516682897649.14447762118-1.252371658217.294561519990.4938783643410.413975943937-0.566775729528-0.89992184471-0.1586880649050.4646580282760.0625272816934-0.652030861674-0.5723505946610.6547673847440.0176845500117-0.07613942651550.6535259121320.02883473957690.635373974791-31.82486168717.2537554848-32.2797692537
74.99323408496-5.27359811376-5.857049806996.769618785185.887679281829.188489827831.03912081355-0.0005137143018931.87573133415-1.093237271220.0343077498885-1.95193268987-0.7815655748610.150730053952-0.7531623643830.8692959458390.0854282688513-0.1383610098970.6884753694890.03630490229460.987211245072-21.537762836922.9365424147-34.8509134604
82.583078629914.323349274580.6432915712138.26078321209-0.2174860241330.696299776947-0.6728648050110.7162460427451.583782557010.4445192678620.6093016600120.5020742523990.109814023139-0.7110927310960.3762015917820.7605655182620.0341061974505-0.0397524881190.7820192583730.06848242380950.49603200456-16.62115676795.43517822766-56.5923046792
97.582305911140.929743638418-6.026158156365.520965153860.7251987067095.23356804042-1.27707418457-0.480323923245-1.147788357092.461424759530.04511797210070.004603976023791.07683696775-1.72859521785-0.04524341991090.7684480436310.22633976428-0.1469585425331.27496704924-0.2618015641960.670906228787-22.69349238331.91850649413-64.6731563218
103.67910765622-3.361920957492.729724313314.82127309325-3.452564090362.688206401921.207236871060.671916417416-0.229528069799-0.1463978521420.3540565542410.06447334272180.3769038640081.215494311980.7393516073060.81311900771-0.260001551159-0.0874461755270.481256632640.1246793887380.515388800757-16.3294732635-3.16192875081-58.8528171314
112.3299303204-1.36133110841-0.7837582134414.025123059295.394275458938.104595546240.3389535061150.990499805469-0.729136154760.311453135931-0.427700078625-0.253920181037-0.596010128703-1.227883679490.08785227733120.706673862112-0.04275000304950.1433124246560.895402833158-0.01624208700010.55234211598-25.0207053073-5.43020548503-53.7284390068
127.843080776334.864792811734.171921080038.505356825246.129384934222.098492736041.7543070136-1.01076660291-0.9607480018671.02218804586-0.221263006232-0.4138160125952.57224308385-1.6227764733-0.1154401395740.7190203778710.022533667273-0.1396395373440.7466317865550.0610071476380.606195080537-16.137751374-4.15450971531-42.3268506248
137.31877972559-0.8024038980370.1806776568673.999275281972.683238646471.717513703280.03479613916110.720626247812-1.087832780830.131965606313-0.299642986352-1.582143171920.6250217902651.069625935150.3875797375110.6636561982590.002291750382750.1105834208260.6102932260290.06293617443920.683363308854-7.44994838437-7.4741301442-50.1075429252
146.253638772752.089809369232.911894428525.85656512517-1.676220840918.13318222204-0.675354919680.512941796950.3573714753290.005136063708370.132101485127-0.479885505463-0.2549352987920.6070807754560.5333001628920.640876509305-0.00846718810995-0.0870000016020.4606040122970.02540458360170.580289661101-10.13873396810.579786103033-51.2423592262
158.634688991451.779117115171.040927145162.14354798158-1.520756806392.59036120710.1785973502320.667431175123-1.23868377529-0.1051952067510.108292207843-0.5321422702090.7018608249760.934206896018-0.2285895425160.567066441033-0.029067127110.06134961634370.808753659843-0.02219595774390.889324986469-1.442231136289.44951830541-49.4429146824
164.457969391233.629264716361.909308185385.494438292164.934785628435.32244426624-0.175721289957-1.038646827122.20685210113-1.495189552830.4575475323882.51889018045-1.514789881450.6489165637790.2168128202680.6963530866950.0378356124064-0.1748769011820.7805444340790.1597823197681.07988189661-13.465704401112.0790541649-45.0339073981
174.41512714849-3.79961041927-1.745585725344.78353922052-0.1008178932283.604640514630.383793461144-0.2178209501570.2845478904640.706465900090.37267123225-1.460998877370.121411686641.11367127254-0.3966518358230.7362719494380.163031039488-0.06317362627531.02787729289-0.08973984942940.710852236001-0.7805956191060.919143730275-38.5065753084
187.525907491135.238183369065.132339808577.348082975814.874343171144.977875731631.21818368104-1.14711645996-1.149049286781.1817748931-0.5308463902240.166319307527-0.322209394345-0.692878179887-0.6471786157780.8918586860440.01302959161220.04715245955150.672594556671-0.01204506957650.486095439008-17.556886062814.10310233398.08490369607
190.389157491514-0.2327705758660.7468608662940.169982785837-0.2085306366361.743843947380.155958129732-0.6270872167190.622274185681-0.0381005042783-0.1107062623480.132519377280.0450846968168-1.418923491520.4550331260260.939073766944-0.04798220728820.1530029153031.20748707180.03818379051210.525394092675-24.413790702121.81409806758.11341851718
203.04276569652-2.090009688411.043421937255.046775819541.71714664292.35561616594-0.0939084383399-0.2793079829840.664277991636-0.334742064008-0.3786781314540.11283674126-1.156988816060.02125250008260.2018647413670.8064228012120.107375475446-0.07234688146970.653697383818-0.09581070001370.530889772865-17.127307327120.73064388862.29884763839
215.22682184816-3.874575705313.217870065767.852166495241.820745527557.631797229940.7387442775320.189676282037-1.033497539261.54490153304-1.081390546080.6397844898930.2490994245-0.232270310822-0.663190274450.866065359907-0.0819431372506-0.08717322311490.3983690578380.1884531831720.325238137149-23.227655744711.4903633996-4.50875249598
222.72056815026-2.7633971992.24291023594.004105944920.4654107538046.52685068721-0.71665053586-0.9016607122480.8561681494190.03380546166790.2860236982970.2130006906730.137150352533-0.9608916114650.5321581433830.8513108110970.0285403798789-0.1341494809020.743456690001-0.03683407967760.700553929023-22.693128035721.3876192134-4.28156937028
235.0270042195-2.97929815952-1.055385037783.657285539674.56199644828.30280875427-0.2967140946371.37156368858-1.498128193931.76608818652-0.01511824631570.6015075960020.549311283766-0.801452485170.4950356525470.8248888796030.102679794858-0.01777603119590.6975848277850.009339656205580.756929197448-11.67641448762.34038668331-7.70130381242
247.49381602297-3.63876844236-3.876297308515.593419765896.1535390076710.2972727920.583245582006-0.1888661571350.550274508024-0.649644088610.38528552079-1.548592755820.08900070958450.423791989195-0.2175442683310.8723660584320.0986028178906-0.1224999685360.8901914713460.0562680414240.75412197055-6.7121146836718.7198092685-3.53054726064
257.62172602836-4.605118702512.835004020188.215814888543.833510428445.403333948680.696047285778-0.329330779089-0.419238343694-0.0741073284739-0.402995653655-0.224256193136-0.261546102413-0.273428609135-0.6625670740080.6653128491860.0119866818019-0.04379468589870.7128714207360.07049547516310.516563375567-10.125028333911.84213207182.62653650087
269.005045600930.404180794607-3.405594620819.11326524769-3.839286750022.73430385843-0.420322378014-1.30196680372-0.62914504001-0.45248999892-1.0733114215-0.232333573019-0.5332851978711.53767369531.527400004320.916699594232-0.197651041999-0.2282026683010.8866532522350.1858636913880.950307330472-1.908953172697.9890394239910.7225252728
274.468076521641.770994135814.359058380587.977683998460.03279342249244.45206232538-0.0712421157660.543441174501-1.23041881533-0.6598214315610.129845280125-0.302490133440.8439133563540.824928160297-0.2607080837870.6437364777840.156873183969-0.004440120701250.644957468214-0.05309866526580.537745341215-2.498839452292.92106687571.37942449264
289.584921108472.210657679430.6718039366087.32223589421-1.664761159657.820460167310.0468324298469-0.4295765535150.274176869274-0.2588425181680.186262824796-0.4480497689510.7338728773640.931194008937-0.534523827860.3804477579670.0903291799063-0.1436726993530.884234199686-0.09575806892050.6903970808810.193992506117.1240660515-20.6045409826
292.0826943198-4.03401932019-0.914922031756.820058200381.631259287268.9439400525-0.347411512574-0.3428144910650.6713660047081.857640062240.323869460082-0.7917895198260.6691696538091.726125629620.2723733350920.7729555013980.0128724669046-0.2310912616710.901665187645-0.08227208754461.0123597684311.211223569222.7786958099-13.7672828111
302.833888945431.97407493190.7036825741312.68980135727-1.072279518582.48542410738-0.669551336247-0.0192665435594-0.4909839143130.3115820775510.953207496113-0.5937188961760.01508994103580.238944815951-0.1256082854330.9135368667310.149742152096-0.2642743985340.8400221145-0.1764206080081.144783638565.0702057697530.3852628211-13.1220286871
317.99834510843-5.468038167331.292100373318.059143004041.512872146938.383254510640.413996248892-0.2523869345020.213062111489-1.07136078279-0.09880535302750.2671834528730.1797668086730.0304232829388-0.01258701745040.637860111221-0.107756637386-0.141081195580.4375385527540.1370360067160.6837153832894.8933679656129.2881406664-28.4283920821
321.14231924812-1.262715753520.182313814717.1247785097-1.609321250937.193711580280.4044683455340.173357743713-0.599724396656-0.291162800895-0.2404086194660.03759293252740.832480407504-0.124421834708-0.09489945856120.6417058362320.0101476067367-0.2346077340870.709215283626-0.06696164245550.8259882735046.005034963917.071817659-28.5415632528
334.6828478811.28889550173-6.287744224557.16722035941-2.22982411698.44115604758-0.2147001716610.4507170537530.578475016828-1.19971997720.1834699155450.4000752501420.132635350567-0.378214167483-0.4848157276620.802307696508-0.0718080738542-0.2919508576020.8292887797380.07500994056590.9579192681820.68111007749921.1664604206-40.8674102149
348.40664274158-0.570026528304-2.058891702459.71842704133-5.64587931573.91870829409-0.0473472613340.265987518025-0.105102037192-0.5120018114020.3975200513132.48818194572-0.121883554918-0.873016300518-0.2263921369470.652537399749-0.1582380699380.03184421238980.635157385667-0.06941376469970.705328659406-40.2589095563-19.9490382645-36.5044378254
352.54719368645-2.31829723136-1.843916038882.340648733932.032318096721.86852519793-1.590884637611.804567121130.388646308261-0.538125697910.08918629765630.196523147341-0.717649492306-0.108687848375-0.4520474372240.910849073755-0.0155043043515-0.3417517832520.89623104439-0.02747561263391.25646969754-39.9116566929-10.4993099888-46.1443412626
363.690296586851.91127902967-3.954093733417.1815262187-3.618344785445.027434829150.5659656687440.2264619434360.217378693776-0.0855327628362-0.09188881408940.641787824955-0.443360734799-0.315568994792-0.1992549703130.747308991234-0.145374005992-0.2762628279160.698474573257-0.1019010966070.709956560248-35.0293050278-9.72893834977-39.5692663125
377.0849255426-6.20590158394-6.495485453855.55434266785.533011647595.712050951030.1876207365320.0667240778120.47533014038-0.1280162664680.359658981627-0.398606490670.0908571939258-0.0912436105284-0.5535585223190.997735530669-0.0134728556679-0.2487078456110.714606868526-0.0284114833560.957697773063-27.0357088123-13.567780355-43.3569350442
386.71900567886-3.75342305207-5.423033788337.343050035914.908914914725.1544845992-0.851719674456-1.43605963504-0.4940088286621.226576509590.104906529139-0.755770680990.1277912395011.72227831167-0.163119494391.13763181225-0.125891365888-0.4251322822620.8918547548720.05153829477660.997184530158-25.4506045009-21.745504614-34.2199093374
395.5114119268-0.443270305333-0.2852540306847.955656419540.1808223330730.9925734402290.425230371412-0.176882363681-0.584985727420.3605853311530.5835143589240.4182962904510.8926807514730.139962841928-0.6057639194070.708992966514-0.119153050837-0.0488857103810.5205695496510.01126626815050.602339276654-32.8539897214-21.8610171651-38.7220412874
406.17081227343-0.872546524363-1.151542316935.430654830291.900411155436.227914817380.133520447527-0.76374354196-0.0622525025016-0.982902891323-0.08296503543222.775620880670.2000722841391.05429793717-0.4155747860291.03818856512-0.197065725354-0.2030752413350.8517316992990.09238495283210.989660213573-38.3788715253-33.1338224912-39.4247755534
410.0555351672856-0.2976247269480.000496664611096.67011294125-1.598471523732.51891580207-0.0944574871478-1.083012147692.945974719640.1881490972180.65357880737-0.9978998290741.87661932071-0.571663150066-0.529596472630.625111370888-0.0472781875635-0.07425637406040.9755495064290.01643899168781.01903538213-39.3318227906-25.4117354866-49.9221772874
425.36993972516-2.982988303382.752850512677.56924618643-4.229223947193.477765800030.440784377182-0.216386444766-0.9655905962520.786034602913-0.697295083004-0.9355747758040.7273277395620.8549897960270.3364585683390.954470034897-0.09860840984470.01358447695780.6271842811980.1130694529960.735859625624-25.6844086315-34.9553670728-43.2546369341
437.40723395699-1.658754302947.731180604295.582805618460.6535977630262.271864704122.88100548927-1.07763346831-1.299890702820.393473419252-1.241998507861.587082044952.17917371202-0.8471357588890.04742998723540.880249163729-0.1010937603330.1865585155770.988653529887-0.1447426173070.758998537566-12.112841842943.4964419479-5.39235742792
445.10302684411-0.9873383155530.4493998549444.083076261360.7006193477552.9111234117-0.3874348285070.452212580508-0.3401834810750.2271928771610.007861798682690.519949115176-0.319624310627-0.2124366475070.3846213298530.696547120985-0.0274337863541-0.1011983237420.619050772495-0.1731867769740.915930391719-11.534921840335.3437076993-11.8802741507
454.209587089432.94187491403-2.409543960594.98530224785-0.2295219544513.80507419550.4375628822781.27471465006-0.483913793266-0.3835778479530.287595098182-0.6704664230770.1146991070860.25339882852-0.7393771801420.672358863332-0.0612654704070.02836471095050.822762958747-0.1551772281430.766144489601-4.9658675443148.3485616233-18.9513608208
465.523861573230.898633941071.654433302489.871128758122.348007233067.352375611680.3462350830140.3137007974330.121396048782-0.00468627330574-0.1463325340170.8020776325850.0319046011432-0.0825242034643-0.2677787105960.6252906845690.000488083641943-0.06040420707490.733916150635-0.1452784352480.826691616131-8.8140145218152.8708412532-8.96036156533
474.358184405960.01479956135171.601515711965.81893172529-5.900339033436.94499496893-0.2623891917340.7278024339271.50140432682-0.288791274733-0.425051233196-1.48751143334-0.2790872871140.4877378516070.9075934688060.5756240069490.008659767514140.1085644558230.936366214838-0.150807686590.696426777527-1.6170060628461.3241287528-17.0647479517
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 317 through 328 )
2X-RAY DIFFRACTION2chain 'A' and (resid 329 through 339 )
3X-RAY DIFFRACTION3chain 'A' and (resid 340 through 362 )
4X-RAY DIFFRACTION4chain 'A' and (resid 363 through 398 )
5X-RAY DIFFRACTION5chain 'A' and (resid 399 through 412 )
6X-RAY DIFFRACTION6chain 'A' and (resid 413 through 448 )
7X-RAY DIFFRACTION7chain 'A' and (resid 449 through 466 )
8X-RAY DIFFRACTION8chain 'B' and (resid 320 through 339 )
9X-RAY DIFFRACTION9chain 'B' and (resid 340 through 345 )
10X-RAY DIFFRACTION10chain 'B' and (resid 346 through 353 )
11X-RAY DIFFRACTION11chain 'B' and (resid 354 through 368 )
12X-RAY DIFFRACTION12chain 'B' and (resid 369 through 383 )
13X-RAY DIFFRACTION13chain 'B' and (resid 384 through 398 )
14X-RAY DIFFRACTION14chain 'B' and (resid 399 through 426 )
15X-RAY DIFFRACTION15chain 'B' and (resid 427 through 441 )
16X-RAY DIFFRACTION16chain 'B' and (resid 442 through 448 )
17X-RAY DIFFRACTION17chain 'B' and (resid 449 through 465 )
18X-RAY DIFFRACTION18chain 'C' and (resid 320 through 339 )
19X-RAY DIFFRACTION19chain 'C' and (resid 340 through 345 )
20X-RAY DIFFRACTION20chain 'C' and (resid 346 through 353 )
21X-RAY DIFFRACTION21chain 'C' and (resid 354 through 362 )
22X-RAY DIFFRACTION22chain 'C' and (resid 363 through 372 )
23X-RAY DIFFRACTION23chain 'C' and (resid 373 through 383 )
24X-RAY DIFFRACTION24chain 'C' and (resid 384 through 400 )
25X-RAY DIFFRACTION25chain 'C' and (resid 401 through 426 )
26X-RAY DIFFRACTION26chain 'C' and (resid 427 through 441 )
27X-RAY DIFFRACTION27chain 'C' and (resid 442 through 464 )
28X-RAY DIFFRACTION28chain 'D' and (resid 320 through 334 )
29X-RAY DIFFRACTION29chain 'D' and (resid 335 through 353 )
30X-RAY DIFFRACTION30chain 'D' and (resid 354 through 368 )
31X-RAY DIFFRACTION31chain 'D' and (resid 369 through 399 )
32X-RAY DIFFRACTION32chain 'D' and (resid 400 through 448 )
33X-RAY DIFFRACTION33chain 'D' and (resid 449 through 465 )
34X-RAY DIFFRACTION34chain 'E' and (resid 321 through 332 )
35X-RAY DIFFRACTION35chain 'E' and (resid 333 through 339 )
36X-RAY DIFFRACTION36chain 'E' and (resid 340 through 362 )
37X-RAY DIFFRACTION37chain 'E' and (resid 363 through 383 )
38X-RAY DIFFRACTION38chain 'E' and (resid 384 through 398 )
39X-RAY DIFFRACTION39chain 'E' and (resid 399 through 426 )
40X-RAY DIFFRACTION40chain 'E' and (resid 427 through 441 )
41X-RAY DIFFRACTION41chain 'E' and (resid 442 through 448 )
42X-RAY DIFFRACTION42chain 'E' and (resid 449 through 464 )
43X-RAY DIFFRACTION43chain 'F' and (resid 323 through 339 )
44X-RAY DIFFRACTION44chain 'F' and (resid 340 through 372 )
45X-RAY DIFFRACTION45chain 'F' and (resid 373 through 398 )
46X-RAY DIFFRACTION46chain 'F' and (resid 399 through 448 )
47X-RAY DIFFRACTION47chain 'F' and (resid 449 through 465 )

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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