4L77
P450cin Active Site Water: Implications for Substrate Binding and Solvent Accessibility
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004497 | molecular_function | monooxygenase activity |
| A | 0005506 | molecular_function | iron ion binding |
| A | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| A | 0016709 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen |
| A | 0020037 | molecular_function | heme binding |
| A | 0046232 | biological_process | carbazole catabolic process |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0055114 | biological_process | obsolete oxidation-reduction process |
| B | 0004497 | molecular_function | monooxygenase activity |
| B | 0005506 | molecular_function | iron ion binding |
| B | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| B | 0016709 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen |
| B | 0020037 | molecular_function | heme binding |
| B | 0046232 | biological_process | carbazole catabolic process |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0055114 | biological_process | obsolete oxidation-reduction process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE HEM A 501 |
| Chain | Residue |
| A | ASN73 |
| A | ALA242 |
| A | THR243 |
| A | ARG289 |
| A | PHE312 |
| A | SER339 |
| A | LEU340 |
| A | GLY341 |
| A | ILE344 |
| A | HIS345 |
| A | CYS347 |
| A | VAL76 |
| A | GLY349 |
| A | HOH627 |
| A | HOH1104 |
| A | MET90 |
| A | ALA91 |
| A | HIS98 |
| A | ARG102 |
| A | PHE109 |
| A | GLY238 |
| A | GLY239 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CNL A 502 |
| Chain | Residue |
| A | TYR81 |
| A | HOH778 |
| A | HOH1104 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PG4 A 503 |
| Chain | Residue |
| A | GLY50 |
| A | GLY51 |
| A | PRO304 |
| A | PEG504 |
| A | HOH763 |
| A | HOH1056 |
| site_id | AC4 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE PEG A 504 |
| Chain | Residue |
| A | PG4503 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 505 |
| Chain | Residue |
| A | ARG346 |
| A | ARG354 |
| A | HOH677 |
| A | HOH945 |
| A | HOH1071 |
| A | HOH1093 |
| B | GLN293 |
| B | HOH694 |
| site_id | AC6 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE HEM B 501 |
| Chain | Residue |
| B | ASN73 |
| B | VAL76 |
| B | MET90 |
| B | ALA91 |
| B | HIS98 |
| B | ARG102 |
| B | PHE109 |
| B | GLY238 |
| B | GLY239 |
| B | ALA242 |
| B | THR243 |
| B | PHE246 |
| B | VAL287 |
| B | ARG289 |
| B | PHE312 |
| B | SER339 |
| B | LEU340 |
| B | GLY341 |
| B | ILE344 |
| B | HIS345 |
| B | CYS347 |
| B | CNL502 |
| B | HOH627 |
| B | HOH838 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CNL B 502 |
| Chain | Residue |
| B | TYR81 |
| B | VAL386 |
| B | HEM501 |
| B | HOH767 |
| B | HOH838 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PG4 B 503 |
| Chain | Residue |
| B | GLY50 |
| B | PRO304 |
| B | GLY305 |
| B | GLN306 |
| B | PEG504 |
| B | HOH714 |
| B | HOH1114 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE PEG B 504 |
| Chain | Residue |
| B | TRP45 |
| B | PG4503 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 10 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15260491, ECO:0000269|PubMed:18270198, ECO:0000269|PubMed:22775403 |
| Chain | Residue | Details |
| A | ASN73 | |
| B | HIS345 | |
| A | HIS98 | |
| A | ARG102 | |
| A | ARG289 | |
| A | HIS345 | |
| B | ASN73 | |
| B | HIS98 | |
| B | ARG102 | |
| B | ARG289 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15260491 |
| Chain | Residue | Details |
| A | ALA242 | |
| B | ALA242 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: axial binding residue |
| Chain | Residue | Details |
| A | CYS347 | |
| B | CYS347 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | SITE: Controls regioselective substrate oxidation |
| Chain | Residue | Details |
| A | ALA242 | |
| B | ALA242 |
