6RLE
Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 97
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005515 | molecular_function | protein binding |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005740 | cellular_component | mitochondrial envelope |
| A | 0005741 | cellular_component | mitochondrial outer membrane |
| A | 0008131 | molecular_function | primary methylamine oxidase activity |
| A | 0009055 | molecular_function | electron transfer activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0019607 | biological_process | phenylethylamine catabolic process |
| A | 0021762 | biological_process | substantia nigra development |
| A | 0042420 | biological_process | dopamine catabolic process |
| A | 0042428 | biological_process | serotonin metabolic process |
| A | 0050665 | biological_process | hydrogen peroxide biosynthetic process |
| A | 0097621 | molecular_function | monoamine oxidase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005740 | cellular_component | mitochondrial envelope |
| B | 0005741 | cellular_component | mitochondrial outer membrane |
| B | 0008131 | molecular_function | primary methylamine oxidase activity |
| B | 0009055 | molecular_function | electron transfer activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0019607 | biological_process | phenylethylamine catabolic process |
| B | 0021762 | biological_process | substantia nigra development |
| B | 0042420 | biological_process | dopamine catabolic process |
| B | 0042428 | biological_process | serotonin metabolic process |
| B | 0050665 | biological_process | hydrogen peroxide biosynthetic process |
| B | 0097621 | molecular_function | monoamine oxidase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue C15 A 602 |
| Chain | Residue |
| A | ASP153 |
| A | LYS154 |
| A | CYS156 |
| A | TRP157 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | binding site for residue C15 B 602 |
| Chain | Residue |
| B | ASP153 |
| B | LYS154 |
| B | TRP157 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | binding site for residue GOL B 603 |
| Chain | Residue |
| B | HIS91 |
| B | GLY94 |
| site_id | AC4 |
| Number of Residues | 40 |
| Details | binding site for residues FAD A 600 and K8B A 601 |
| Chain | Residue |
| A | GLY11 |
| A | GLY13 |
| A | ILE14 |
| A | SER15 |
| A | LEU33 |
| A | GLU34 |
| A | ALA35 |
| A | ARG36 |
| A | GLY40 |
| A | GLY41 |
| A | ARG42 |
| A | THR43 |
| A | GLY58 |
| A | SER59 |
| A | TYR60 |
| A | PHE168 |
| A | LEU171 |
| A | ILE199 |
| A | GLN206 |
| A | VAL235 |
| A | ALA263 |
| A | ILE264 |
| A | ILE316 |
| A | PHE343 |
| A | TRP388 |
| A | TYR393 |
| A | CYS397 |
| A | TYR398 |
| A | GLY425 |
| A | THR426 |
| A | GLY434 |
| A | TYR435 |
| A | MET436 |
| A | HOH709 |
| A | HOH724 |
| A | HOH727 |
| A | HOH730 |
| A | HOH753 |
| A | HOH771 |
| A | HOH786 |
| site_id | AC5 |
| Number of Residues | 43 |
| Details | binding site for residues FAD B 600 and K8B B 601 |
| Chain | Residue |
| B | VAL10 |
| B | GLY11 |
| B | GLY13 |
| B | ILE14 |
| B | SER15 |
| B | LEU33 |
| B | GLU34 |
| B | ALA35 |
| B | ARG36 |
| B | GLY40 |
| B | GLY41 |
| B | ARG42 |
| B | THR43 |
| B | GLY58 |
| B | SER59 |
| B | TYR60 |
| B | LEU171 |
| B | ILE199 |
| B | GLN206 |
| B | PRO234 |
| B | VAL235 |
| B | ALA263 |
| B | ILE264 |
| B | ILE316 |
| B | TYR326 |
| B | PHE343 |
| B | TRP388 |
| B | TYR393 |
| B | CYS397 |
| B | TYR398 |
| B | GLY425 |
| B | THR426 |
| B | GLY434 |
| B | TYR435 |
| B | MET436 |
| B | ALA439 |
| B | HOH710 |
| B | HOH727 |
| B | HOH729 |
| B | HOH739 |
| B | HOH778 |
| B | HOH785 |
| B | HOH810 |
| site_id | AC6 |
| Number of Residues | 43 |
| Details | binding site for Di-peptide FAD B 600 and CYS B 397 |
| Chain | Residue |
| B | ALA35 |
| B | ARG36 |
| B | GLY40 |
| B | GLY41 |
| B | ARG42 |
| B | THR43 |
| B | GLY58 |
| B | SER59 |
| B | TYR60 |
| B | THR174 |
| B | PRO234 |
| B | VAL235 |
| B | ALA263 |
| B | ILE264 |
| B | GLY292 |
| B | SER293 |
| B | VAL294 |
| B | TRP388 |
| B | TYR393 |
| B | GLY396 |
| B | TYR398 |
| B | THR399 |
| B | GLY425 |
| B | THR426 |
| B | GLY434 |
| B | TYR435 |
| B | MET436 |
| B | ALA439 |
| B | K8B601 |
| B | HOH710 |
| B | HOH727 |
| B | HOH729 |
| B | HOH739 |
| B | HOH778 |
| B | HOH785 |
| B | HOH810 |
| B | VAL10 |
| B | GLY11 |
| B | GLY13 |
| B | ILE14 |
| B | SER15 |
| B | LEU33 |
| B | GLU34 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | Site: {"description":"Important for catalytic activity"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"Q8BW75","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"S-8alpha-FAD cysteine","evidences":[{"source":"PubMed","id":"11753429","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12913124","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15027868","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15710600","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16366596","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1GOS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1OJ9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1OJA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1OJC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1OJD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1S2Q","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1S2Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1S3B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1S3E","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2BK3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2BK4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2BK5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2BYB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C64","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C65","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C66","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C67","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C70","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C72","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C73","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C75","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C76","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2V5Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2V60","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2V61","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2VRL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2VRM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2VZ2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XFN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XFO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XFP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XFQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3PO7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ZYX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4A79","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4A7A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4CRT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5MRL","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
