2A2A
High-resolution crystallographic analysis of the autoinhibited conformation of a human death-associated protein kinase
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004672 | molecular_function | protein kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0006468 | biological_process | protein phosphorylation |
| B | 0004672 | molecular_function | protein kinase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0006468 | biological_process | protein phosphorylation |
| C | 0004672 | molecular_function | protein kinase activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0006468 | biological_process | protein phosphorylation |
| D | 0004672 | molecular_function | protein kinase activity |
| D | 0005524 | molecular_function | ATP binding |
| D | 0006468 | biological_process | protein phosphorylation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NA C 3158 |
| Chain | Residue |
| C | ASN190 |
| D | ASN190 |
| D | HOH3188 |
| D | HOH3286 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE NA B 3763 |
| Chain | Residue |
| B | VAL56 |
| B | SER57 |
| B | GLU60 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA A 3152 |
| Chain | Residue |
| B | ASN190 |
| B | HOH3790 |
| B | HOH4029 |
| A | ASN190 |
| A | HOH3353 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA D 3175 |
| Chain | Residue |
| D | LEU211 |
| D | THR244 |
| D | VAL290 |
| D | HOH3212 |
| D | HOH3227 |
| D | HOH3328 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NA A 3178 |
| Chain | Residue |
| A | LEU211 |
| A | THR244 |
| A | HOH3361 |
| A | HOH3364 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NA B 3221 |
| Chain | Residue |
| B | LEU211 |
| B | THR244 |
| B | HOH3797 |
| B | HOH3801 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE NA C 3281 |
| Chain | Residue |
| C | SER57 |
| C | GLU60 |
| C | HOH3480 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NA C 3291 |
| Chain | Residue |
| C | LEU211 |
| C | THR244 |
| C | HOH3332 |
| C | HOH3355 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL C 3039 |
| Chain | Residue |
| C | PRO142 |
| C | GLU143 |
| C | HOH3391 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL A 3065 |
| Chain | Residue |
| A | ARG63 |
| A | HIS166 |
| A | GLU167 |
| A | HOH3583 |
| site_id | BC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL A 3318 |
| Chain | Residue |
| A | ARG58 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DTT A 2002 |
| Chain | Residue |
| A | PHE178 |
| A | GLY179 |
| B | DTT2003 |
| B | HOH4045 |
| site_id | BC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DTT B 2003 |
| Chain | Residue |
| A | DTT2002 |
| B | PHE178 |
| B | GLY179 |
| B | HOH4045 |
| site_id | BC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DTT C 2004 |
| Chain | Residue |
| C | PHE178 |
| C | GLY179 |
| C | HOH3457 |
| D | DTT2005 |
| site_id | BC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DTT D 2005 |
| Chain | Residue |
| C | DTT2004 |
| C | HOH3457 |
| D | PHE178 |
| D | GLY179 |
| site_id | BC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 3001 |
| Chain | Residue |
| A | ALA40 |
| A | ILE77 |
| A | GLU94 |
| A | LEU95 |
| A | VAL96 |
| A | MET146 |
| A | HOH3321 |
| site_id | BC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL C 3002 |
| Chain | Residue |
| C | ALA40 |
| C | ILE77 |
| C | GLU94 |
| C | LEU95 |
| C | VAL96 |
| C | HOH3292 |
| site_id | BC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL D 3003 |
| Chain | Residue |
| D | ALA40 |
| D | ILE77 |
| D | GLU94 |
| D | LEU95 |
| D | VAL96 |
| D | HOH3177 |
Functional Information from PROSITE/UniProt
| site_id | PS00107 |
| Number of Residues | 28 |
| Details | PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGSGQFAIVKkCrekstgleyaak......FIKK |
| Chain | Residue | Details |
| A | LEU19-LYS46 |
| site_id | PS00108 |
| Number of Residues | 13 |
| Details | PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IaHfDLKpeNIML |
| Chain | Residue | Details |
| A | ILE135-LEU147 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1048 |
| Details | Domain: {"description":"Protein kinase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 36 |
| Details | Region: {"description":"Autoinhibitory domain","evidences":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 32 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"10376525","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10629061","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| A | GLU143 | |
| A | ASP139 |
| site_id | CSA10 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| B | THR180 | |
| B | ASP139 | |
| B | LYS141 |
| site_id | CSA11 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| C | THR180 | |
| C | ASP139 | |
| C | LYS141 |
| site_id | CSA12 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| D | THR180 | |
| D | ASP139 | |
| D | LYS141 |
| site_id | CSA13 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| A | ASP139 | |
| A | LYS141 | |
| A | ASN144 |
| site_id | CSA14 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| B | ASP139 | |
| B | LYS141 | |
| B | ASN144 |
| site_id | CSA15 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| C | ASP139 | |
| C | LYS141 | |
| C | ASN144 |
| site_id | CSA16 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| D | ASP139 | |
| D | LYS141 | |
| D | ASN144 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| B | GLU143 | |
| B | ASP139 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| C | GLU143 | |
| C | ASP139 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| D | GLU143 | |
| D | ASP139 |
| site_id | CSA5 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| A | ASP139 | |
| A | LYS141 |
| site_id | CSA6 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| B | ASP139 | |
| B | LYS141 |
| site_id | CSA7 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| C | ASP139 | |
| C | LYS141 |
| site_id | CSA8 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| D | ASP139 | |
| D | LYS141 |
| site_id | CSA9 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| A | THR180 | |
| A | ASP139 | |
| A | LYS141 |
