6MC1
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0006470 | biological_process | protein dephosphorylation |
| A | 0016311 | biological_process | dephosphorylation |
| A | 0017017 | molecular_function | MAP kinase tyrosine/serine/threonine phosphatase activity |
| B | 0006470 | biological_process | protein dephosphorylation |
| B | 0016311 | biological_process | dephosphorylation |
| B | 0017017 | molecular_function | MAP kinase tyrosine/serine/threonine phosphatase activity |
| C | 0006470 | biological_process | protein dephosphorylation |
| C | 0016311 | biological_process | dephosphorylation |
| C | 0017017 | molecular_function | MAP kinase tyrosine/serine/threonine phosphatase activity |
| D | 0006470 | biological_process | protein dephosphorylation |
| D | 0016311 | biological_process | dephosphorylation |
| D | 0017017 | molecular_function | MAP kinase tyrosine/serine/threonine phosphatase activity |
| E | 0006470 | biological_process | protein dephosphorylation |
| E | 0016311 | biological_process | dephosphorylation |
| E | 0017017 | molecular_function | MAP kinase tyrosine/serine/threonine phosphatase activity |
| F | 0006470 | biological_process | protein dephosphorylation |
| F | 0016311 | biological_process | dephosphorylation |
| F | 0017017 | molecular_function | MAP kinase tyrosine/serine/threonine phosphatase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | binding site for residue CJA A 500 |
| Chain | Residue |
| A | SER413 |
| A | THR417 |
| A | MET431 |
| A | THR432 |
| A | TYR435 |
| A | PRO447 |
| A | ASN448 |
| A | MET452 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue CJA B 500 |
| Chain | Residue |
| B | TYR435 |
| B | ILE445 |
| B | SER446 |
| B | PRO447 |
| B | ASN448 |
| B | MET452 |
| B | MET431 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue DTT B 501 |
| Chain | Residue |
| B | ASP377 |
| B | ASN379 |
| B | PRO447 |
| B | LEU449 |
| B | ACT502 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue ACT B 502 |
| Chain | Residue |
| B | ASN379 |
| B | DTT501 |
| C | ASN382 |
| C | ARG384 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue CJA C 500 |
| Chain | Residue |
| C | SER413 |
| C | THR417 |
| C | TYR435 |
| C | SER446 |
| C | PRO447 |
| C | ASN448 |
| C | MET452 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue DTT C 501 |
| Chain | Residue |
| C | ASP377 |
| C | ASN448 |
| C | LEU449 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue CJA D 500 |
| Chain | Residue |
| D | TYR435 |
| D | ILE445 |
| D | PRO447 |
| D | ASN448 |
| D | MET452 |
| site_id | AC8 |
| Number of Residues | 1 |
| Details | binding site for residue DTT D 501 |
| Chain | Residue |
| D | LEU449 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | binding site for residue CJA E 500 |
| Chain | Residue |
| E | SER413 |
| E | THR417 |
| E | MET431 |
| E | TYR435 |
| E | PRO447 |
| E | ASN448 |
| E | MET452 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue DTT E 501 |
| Chain | Residue |
| E | ASP377 |
| E | ASN379 |
| E | ASN448 |
| E | LEU449 |
| site_id | AD2 |
| Number of Residues | 9 |
| Details | binding site for residue CJA F 500 |
| Chain | Residue |
| C | MET452 |
| F | SER413 |
| F | THR417 |
| F | MET431 |
| F | TYR435 |
| F | SER446 |
| F | PRO447 |
| F | ASN448 |
| F | MET452 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue DTT F 501 |
| Chain | Residue |
| F | ASP377 |
| F | ASN448 |
| F | LEU449 |
Functional Information from PROSITE/UniProt
| site_id | PS00383 |
| Number of Residues | 11 |
| Details | TYR_PHOSPHATASE_1 Tyrosine specific protein phosphatases active site. IHCqaGvsRSA |
| Chain | Residue | Details |
| A | ILE406-ALA416 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | ACT_SITE: Phosphocysteine intermediate => ECO:0000255|PROSITE-ProRule:PRU00160, ECO:0000305|PubMed:16806267, ECO:0000305|PubMed:17400920 |
| Chain | Residue | Details |
| B | CYS408 | |
| C | CYS408 | |
| D | CYS408 | |
| E | CYS408 | |
| F | CYS408 | |
| A | CYS408 |
