2GMX
Selective Aminopyridine-Based C-Jun N-terminal Kinase inhibitors with cellular activity
GO（遺伝子オントロジー）由来の情報
| 鎖名 | GO（遺伝子オントロジー）id | 名前空間 | 内容 |
| A | 0004672 | molecular_function | protein kinase activity |
| A | 0004707 | molecular_function | MAP kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0006468 | biological_process | protein phosphorylation |
| B | 0004672 | molecular_function | protein kinase activity |
| B | 0004707 | molecular_function | MAP kinase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0006468 | biological_process | protein phosphorylation |
PDBデータベースに由来する情報
| site_id | AC1 |
| 残基数 | 5 |
| 詳細 | BINDING SITE FOR RESIDUE SO4 A 501 |
| 鎖名 | 残基 |
| A | GLU185 |
| A | ARG189 |
| A | ARG192 |
| A | TYR230 |
| B | THR255 |
| site_id | AC2 |
| 残基数 | 4 |
| 詳細 | BINDING SITE FOR RESIDUE SO4 A 601 |
| 鎖名 | 残基 |
| A | ARG69 |
| A | ARG72 |
| A | ARG150 |
| A | ARG174 |
| site_id | AC3 |
| 残基数 | 3 |
| 詳細 | BINDING SITE FOR RESIDUE SO4 B 701 |
| 鎖名 | 残基 |
| A | THR255 |
| B | ARG189 |
| B | TYR230 |
| site_id | AC4 |
| 残基数 | 4 |
| 詳細 | BINDING SITE FOR RESIDUE SO4 B 801 |
| 鎖名 | 残基 |
| B | ARG69 |
| B | ARG72 |
| B | ARG150 |
| B | ARG174 |
| site_id | AC5 |
| 残基数 | 11 |
| 詳細 | BINDING SITE FOR RESIDUE 877 A 901 |
| 鎖名 | 残基 |
| A | ILE32 |
| A | VAL40 |
| A | LYS55 |
| A | ILE86 |
| A | MET108 |
| A | GLU109 |
| A | LEU110 |
| A | MET111 |
| A | ASP112 |
| A | ALA113 |
| A | VAL158 |
| site_id | AC6 |
| 残基数 | 13 |
| 詳細 | BINDING SITE FOR RESIDUE 877 B 1001 |
| 鎖名 | 残基 |
| B | LYS30 |
| B | ILE32 |
| B | VAL40 |
| B | ALA53 |
| B | LYS55 |
| B | MET108 |
| B | GLU109 |
| B | LEU110 |
| B | MET111 |
| B | ASP112 |
| B | ASN114 |
| B | VAL158 |
| B | LEU168 |
UniProtにおけるモチーフ・データベースPROSITEからの機能情報
| site_id | PS00108 |
| 残基数 | 13 |
| 詳細 | PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IiHrDLKpsNIVV |
| 鎖名 | 残基 | 詳細 |
| A | ILE147-VAL159 |
| site_id | PS01351 |
| 残基数 | 103 |
| 詳細 | MAPK MAP kinase signature. FqnqthakrayRElvlmkcvnhkniigllnvftpqksleefqdvyivmelmdanlcqviqmeldhermsyllyqmlcgikhlhsagiih..........RDlKpsnivvksdC |
| 鎖名 | 残基 | 詳細 |
| A | PHE61-CYS163 |
SwissProt/UniProtに記載されている蛋白質分子機能情報
| site_id | SWS_FT_FI1 |
| 残基数 | 2 |
| 詳細 | ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027 |
| 鎖名 | 残基 | 詳細 |
| A | ASP151 | |
| B | ASP151 |
| site_id | SWS_FT_FI2 |
| 残基数 | 4 |
| 詳細 | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 |
| 鎖名 | 残基 | 詳細 |
| A | ILE32 | |
| A | LYS55 | |
| B | ILE32 | |
| B | LYS55 |
| site_id | SWS_FT_FI3 |
| 残基数 | 2 |
| 詳細 | MOD_RES: S-nitrosocysteine => ECO:0000250|UniProtKB:P49185 |
| 鎖名 | 残基 | 詳細 |
| A | CYS116 | |
| B | CYS116 |
| site_id | SWS_FT_FI4 |
| 残基数 | 2 |
| 詳細 | MOD_RES: Phosphothreonine; by MAP2K7 => ECO:0000269|PubMed:11062067 |
| 鎖名 | 残基 | 詳細 |
| A | GLU183 | |
| B | GLU183 |
| site_id | SWS_FT_FI5 |
| 残基数 | 2 |
| 詳細 | MOD_RES: Phosphotyrosine; by MAP2K4 => ECO:0000269|PubMed:11062067 |
| 鎖名 | 残基 | 詳細 |
| A | GLU185 | |
| B | GLU185 |
CSAにおける酵素触媒機能の情報
| site_id | CSA1 |
| 残基数 | 2 |
| 詳細 | Annotated By Reference To The Literature 1ir3 |
| 鎖名 | 残基 | 詳細 |
| A | SER155 | |
| A | ASP151 |
| site_id | CSA2 |
| 残基数 | 2 |
| 詳細 | Annotated By Reference To The Literature 1ir3 |
| 鎖名 | 残基 | 詳細 |
| B | SER155 | |
| B | ASP151 |
| site_id | CSA3 |
| 残基数 | 2 |
| 詳細 | Annotated By Reference To The Literature 1ir3 |
| 鎖名 | 残基 | 詳細 |
| A | ASP151 | |
| A | LYS153 |
| site_id | CSA4 |
| 残基数 | 2 |
| 詳細 | Annotated By Reference To The Literature 1ir3 |
| 鎖名 | 残基 | 詳細 |
| B | ASP151 | |
| B | LYS153 |
| site_id | CSA5 |
| 残基数 | 3 |
| 詳細 | Annotated By Reference To The Literature 1ir3 |
| 鎖名 | 残基 | 詳細 |
| A | ASP151 | |
| A | THR188 | |
| A | LYS153 |
| site_id | CSA6 |
| 残基数 | 3 |
| 詳細 | Annotated By Reference To The Literature 1ir3 |
| 鎖名 | 残基 | 詳細 |
| B | ASP151 | |
| B | THR188 | |
| B | LYS153 |
| site_id | CSA7 |
| 残基数 | 3 |
| 詳細 | Annotated By Reference To The Literature 1ir3 |
| 鎖名 | 残基 | 詳細 |
| A | ASN156 | |
| A | ASP151 | |
| A | LYS153 |
| site_id | CSA8 |
| 残基数 | 3 |
| 詳細 | Annotated By Reference To The Literature 1ir3 |
| 鎖名 | 残基 | 詳細 |
| B | ASN156 | |
| B | ASP151 | |
| B | LYS153 |
