5F0A
CRYSTAL STRUCTURE OF PVX_084705 WITH BOUND 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine INHIBITOR
Replaces: 4WJCFunctional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004672 | molecular_function | protein kinase activity |
| A | 0004674 | molecular_function | protein serine/threonine kinase activity |
| A | 0004691 | molecular_function | cAMP-dependent protein kinase activity |
| A | 0004692 | molecular_function | cGMP-dependent protein kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005789 | cellular_component | endoplasmic reticulum membrane |
| A | 0005952 | cellular_component | cAMP-dependent protein kinase complex |
| A | 0006468 | biological_process | protein phosphorylation |
| A | 0016301 | molecular_function | kinase activity |
| A | 0016740 | molecular_function | transferase activity |
| A | 0030553 | molecular_function | cGMP binding |
| A | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 9 |
| Details | binding site for residue 1FB A 901 |
| Chain | Residue |
| A | ILE540 |
| A | ALA561 |
| A | LYS563 |
| A | ILE595 |
| A | PHE609 |
| A | THR611 |
| A | GLU612 |
| A | VAL614 |
| A | LEU664 |
Functional Information from PROSITE/UniProt
| site_id | PS00107 |
| Number of Residues | 24 |
| Details | PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGRGTFGTVKlVhhkptqir..........YALK |
| Chain | Residue | Details |
| A | ILE540-LYS563 |
| site_id | PS00108 |
| Number of Residues | 13 |
| Details | PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IvYrDLKpeNILL |
| Chain | Residue | Details |
| A | ILE653-LEU665 |
| site_id | PS00888 |
| Number of Residues | 17 |
| Details | CNMP_BINDING_1 Cyclic nucleotide-binding domain signature 1. VIkQGEkGSyFFIInsG |
| Chain | Residue | Details |
| A | VAL78-GLY94 | |
| A | ILE196-GLY212 | |
| A | ILE438-GLY454 |
| site_id | PS00889 |
| Number of Residues | 18 |
| Details | CNMP_BINDING_2 Cyclic nucleotide-binding domain signature 2. FGEaALihntq......RSAtImA |
| Chain | Residue | Details |
| A | PHE114-ALA131 | |
| A | PHE232-ALA249 | |
| A | PHE474-SER491 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 257 |
| 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 | 115 |
| Details | Region: {"description":"cNMP-binding domain 1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00060","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 99 |
| Details | Region: {"description":"cNMP-binding domain 2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00060","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 99 |
| Details | Region: {"description":"cNMP-binding domain 4","evidences":[{"source":"PROSITE-ProRule","id":"PRU00060","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 12 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"Q8I719","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"31239348","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5DZC","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 3 |
| Details | Site: {"description":"Part of a catalytic triad required for cGMP binding and cGMP-dependent kinase activity","evidences":[{"source":"UniProtKB","id":"Q8I719","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
