6ZGC
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Saracatinib (AZD0530)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004672 | molecular_function | protein kinase activity |
| A | 0004675 | molecular_function | transmembrane receptor protein serine/threonine kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0006468 | biological_process | protein phosphorylation |
| A | 0007178 | biological_process | cell surface receptor protein serine/threonine kinase signaling pathway |
| A | 0016020 | cellular_component | membrane |
| B | 0004672 | molecular_function | protein kinase activity |
| B | 0004675 | molecular_function | transmembrane receptor protein serine/threonine kinase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0006468 | biological_process | protein phosphorylation |
| B | 0007178 | biological_process | cell surface receptor protein serine/threonine kinase signaling pathway |
| B | 0016020 | cellular_component | membrane |
| C | 0004672 | molecular_function | protein kinase activity |
| C | 0004675 | molecular_function | transmembrane receptor protein serine/threonine kinase activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0006468 | biological_process | protein phosphorylation |
| C | 0007178 | biological_process | cell surface receptor protein serine/threonine kinase signaling pathway |
| C | 0016020 | cellular_component | membrane |
| D | 0004672 | molecular_function | protein kinase activity |
| D | 0004675 | molecular_function | transmembrane receptor protein serine/threonine kinase activity |
| D | 0005524 | molecular_function | ATP binding |
| D | 0006468 | biological_process | protein phosphorylation |
| D | 0007178 | biological_process | cell surface receptor protein serine/threonine kinase signaling pathway |
| D | 0016020 | cellular_component | membrane |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 16 |
| Details | binding site for residue H8H A 501 |
| Chain | Residue |
| A | VAL214 |
| A | TYR285 |
| A | HIS286 |
| A | GLU287 |
| A | GLY289 |
| A | LYS340 |
| A | LEU343 |
| A | ALA353 |
| A | TYR219 |
| A | VAL222 |
| A | ALA233 |
| A | LYS235 |
| A | LEU263 |
| A | LEU281 |
| A | THR283 |
| A | HIS284 |
| site_id | AC2 |
| Number of Residues | 1 |
| Details | binding site for residue K A 502 |
| Chain | Residue |
| A | PO4503 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue PO4 A 503 |
| Chain | Residue |
| A | GLU260 |
| A | ILE262 |
| A | GLY264 |
| A | HIS284 |
| A | HIS286 |
| A | LYS345 |
| A | K502 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue PO4 A 504 |
| Chain | Residue |
| A | HIS286 |
| A | LYS345 |
| A | LYS346 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue PO4 A 505 |
| Chain | Residue |
| A | LYS338 |
| A | LYS340 |
| A | THR378 |
| A | TYR381 |
| A | PO4506 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue PO4 A 506 |
| Chain | Residue |
| A | ARG380 |
| A | ASN437 |
| A | ASP438 |
| A | PRO439 |
| A | PO4505 |
| site_id | AC7 |
| Number of Residues | 17 |
| Details | binding site for residue H8H B 501 |
| Chain | Residue |
| B | VAL214 |
| B | GLY215 |
| B | VAL222 |
| B | ALA233 |
| B | LYS235 |
| B | LEU263 |
| B | LEU281 |
| B | THR283 |
| B | HIS284 |
| B | TYR285 |
| B | HIS286 |
| B | GLU287 |
| B | GLY289 |
| B | SER290 |
| B | LYS340 |
| B | LEU343 |
| B | ALA353 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | binding site for residue K B 502 |
| Chain | Residue |
| B | PO4504 |
| B | PO4505 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue PO4 B 503 |
| Chain | Residue |
| B | LYS338 |
| B | LYS340 |
| B | THR378 |
| B | TYR381 |
| B | PO4506 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue PO4 B 504 |
| Chain | Residue |
| B | HIS286 |
| B | LYS345 |
| B | LYS346 |
| B | K502 |
| site_id | AD2 |
| Number of Residues | 7 |
| Details | binding site for residue PO4 B 505 |
| Chain | Residue |
| B | GLU260 |
| B | ILE262 |
| B | GLY264 |
| B | HIS284 |
| B | HIS286 |
| B | LYS345 |
| B | K502 |
| site_id | AD3 |
| Number of Residues | 5 |
| Details | binding site for residue PO4 B 506 |
| Chain | Residue |
| B | ARG380 |
| B | ASN437 |
| B | ASP438 |
| B | PRO439 |
| B | PO4503 |
| site_id | AD4 |
| Number of Residues | 15 |
| Details | binding site for residue H8H C 501 |
| Chain | Residue |
| C | VAL214 |
| C | VAL222 |
| C | ALA233 |
| C | LYS235 |
| C | LEU263 |
| C | LEU281 |
| C | THR283 |
| C | HIS284 |
| C | TYR285 |
| C | HIS286 |
| C | GLU287 |
| C | GLY289 |
| C | LYS340 |
| C | LEU343 |
| C | ALA353 |
| site_id | AD5 |
| Number of Residues | 1 |
| Details | binding site for residue K C 502 |
| Chain | Residue |
| C | PO4504 |
| site_id | AD6 |
| Number of Residues | 7 |
| Details | binding site for residue PO4 C 503 |
| Chain | Residue |
| C | CYS351 |
| C | GLU260 |
| C | ILE262 |
| C | LEU263 |
| C | GLY264 |
| C | HIS286 |
| C | LYS345 |
| site_id | AD7 |
| Number of Residues | 4 |
| Details | binding site for residue PO4 C 504 |
| Chain | Residue |
| C | HIS286 |
| C | LYS345 |
| C | LYS346 |
| C | K502 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue PO4 C 505 |
| Chain | Residue |
| C | LYS338 |
| C | LYS340 |
| C | THR378 |
| C | PO4506 |
| site_id | AD9 |
| Number of Residues | 5 |
| Details | binding site for residue PO4 C 506 |
| Chain | Residue |
| C | ARG380 |
| C | ASN437 |
| C | ASP438 |
| C | PRO439 |
| C | PO4505 |
| site_id | AE1 |
| Number of Residues | 16 |
| Details | binding site for residue H8H D 501 |
| Chain | Residue |
| A | PHE462 |
| D | VAL214 |
| D | VAL222 |
| D | ALA233 |
| D | LYS235 |
| D | GLU248 |
| D | LEU281 |
| D | THR283 |
| D | HIS284 |
| D | TYR285 |
| D | HIS286 |
| D | GLU287 |
| D | GLY289 |
| D | LYS340 |
| D | LEU343 |
| D | ALA353 |
| site_id | AE2 |
| Number of Residues | 2 |
| Details | binding site for residue K D 502 |
| Chain | Residue |
| D | PO4503 |
| D | PO4504 |
| site_id | AE3 |
| Number of Residues | 7 |
| Details | binding site for residue PO4 D 503 |
| Chain | Residue |
| D | GLU260 |
| D | ILE262 |
| D | GLY264 |
| D | HIS284 |
| D | HIS286 |
| D | LYS345 |
| D | K502 |
| site_id | AE4 |
| Number of Residues | 4 |
| Details | binding site for residue PO4 D 504 |
| Chain | Residue |
| D | HIS286 |
| D | LYS345 |
| D | LYS346 |
| D | K502 |
| site_id | AE5 |
| Number of Residues | 5 |
| Details | binding site for residue PO4 D 505 |
| Chain | Residue |
| D | LYS338 |
| D | LYS340 |
| D | THR378 |
| D | TYR381 |
| D | PO4506 |
| site_id | AE6 |
| Number of Residues | 4 |
| Details | binding site for residue PO4 D 506 |
| Chain | Residue |
| D | ARG380 |
| D | ASP438 |
| D | PRO439 |
| D | PO4505 |
Functional Information from PROSITE/UniProt
| site_id | PS00107 |
| Number of Residues | 22 |
| Details | PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. VGKGRYGEVWrGswqgen............VAVK |
| Chain | Residue | Details |
| A | VAL214-LYS235 |
| site_id | PS00108 |
| Number of Residues | 13 |
| Details | PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IaHrDLKskNILV |
| Chain | Residue | Details |
| A | ILE332-VAL344 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| 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_FI2 |
| Number of Residues | 28 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
