2CFG
AGAO in complex with wc4d3 (Ru-wire inhibitor, 4-carbon linker, delta enantiomer, data set 3)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005507 | molecular_function | copper ion binding |
| A | 0008131 | molecular_function | primary methylamine oxidase activity |
| A | 0009308 | biological_process | amine metabolic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016641 | molecular_function | oxidoreductase activity, acting on the CH-NH2 group of donors, oxygen as acceptor |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0048038 | molecular_function | quinone binding |
| B | 0005507 | molecular_function | copper ion binding |
| B | 0008131 | molecular_function | primary methylamine oxidase activity |
| B | 0009308 | biological_process | amine metabolic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016641 | molecular_function | oxidoreductase activity, acting on the CH-NH2 group of donors, oxygen as acceptor |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0048038 | molecular_function | quinone binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CU A1628 |
| Chain | Residue |
| A | HIS431 |
| A | HIS433 |
| A | HIS592 |
| A | HOH2198 |
| A | HOH2229 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA A1629 |
| Chain | Residue |
| A | HOH2235 |
| A | ASP440 |
| A | MET441 |
| A | ASP581 |
| A | ILE582 |
| site_id | AC3 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE SO4 B1628 |
| Chain | Residue |
| A | GLY350 |
| A | ARG367 |
| B | ASP316 |
| B | CYS317 |
| B | LEU318 |
| B | HIS345 |
| B | GOL1638 |
| B | HOH2231 |
| B | HOH2254 |
| B | HOH2424 |
| B | HOH2425 |
| B | HOH2426 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CU B1630 |
| Chain | Residue |
| B | HIS431 |
| B | HIS433 |
| B | HIS592 |
| B | HOH2252 |
| B | HOH2282 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA B1631 |
| Chain | Residue |
| B | ASP440 |
| B | MET441 |
| B | ASP581 |
| B | ILE582 |
| B | HOH2287 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SO4 B1633 |
| Chain | Residue |
| A | ASP316 |
| A | CYS317 |
| A | LEU318 |
| A | HIS345 |
| A | HOH2200 |
| B | GLY350 |
| B | ARG367 |
| B | HOH2428 |
| B | HOH2429 |
| B | HOH2430 |
| site_id | AC7 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE R4A A1630 |
| Chain | Residue |
| A | GLU102 |
| A | PHE105 |
| A | ALA135 |
| A | PRO136 |
| A | LEU137 |
| A | TRP168 |
| A | TYR296 |
| A | TYR302 |
| A | TYR307 |
| A | GLY380 |
| A | ASN381 |
| A | TPQ382 |
| A | PHE407 |
| B | SER356 |
| B | ASP357 |
| B | LEU358 |
| site_id | AC8 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE R4A B1632 |
| Chain | Residue |
| A | SER356 |
| A | ASP357 |
| A | LEU358 |
| B | GLU102 |
| B | PHE105 |
| B | ALA135 |
| B | PRO136 |
| B | LEU137 |
| B | TRP168 |
| B | TYR296 |
| B | TYR302 |
| B | TYR307 |
| B | GLY380 |
| B | ASN381 |
| B | TPQ382 |
| B | PHE407 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A1631 |
| Chain | Residue |
| A | ASN126 |
| A | ASP161 |
| A | VAL197 |
| A | ALA199 |
| A | HOH2361 |
| A | HOH2362 |
| A | HOH2363 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A1632 |
| Chain | Residue |
| A | LEU590 |
| A | ASP605 |
| A | THR606 |
| A | HOH2341 |
| B | LYS610 |
| B | ARG612 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A1633 |
| Chain | Residue |
| A | ASP444 |
| A | GLY445 |
| A | PHE446 |
| A | THR447 |
| A | ASN499 |
| site_id | BC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A1634 |
| Chain | Residue |
| A | HOH2365 |
| B | HOH2408 |
| A | ASN368 |
| A | TYR391 |
| A | ASP393 |
| A | LYS610 |
| A | HOH2195 |
| A | HOH2205 |
| A | HOH2364 |
| site_id | BC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B1629 |
| Chain | Residue |
| A | GLU347 |
| A | ARG370 |
| A | LYS401 |
| A | HOH2201 |
| A | HOH2208 |
| B | TRP349 |
| B | GLY350 |
| B | HOH2427 |
| site_id | BC5 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL B1634 |
| Chain | Residue |
| B | ARG532 |
| B | ARG533 |
| B | THR554 |
| B | PHE557 |
| B | HIS561 |
| B | SER562 |
| B | GLY563 |
| B | GLY564 |
| B | ALA565 |
| B | HOH2374 |
| site_id | BC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B1635 |
| Chain | Residue |
| B | ASN126 |
| B | ASP161 |
| B | VAL197 |
| B | ALA199 |
| B | HOH2431 |
| B | HOH2432 |
| B | HOH2433 |
| site_id | BC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B1636 |
| Chain | Residue |
| A | ARG612 |
| B | LEU590 |
| B | ASP605 |
| B | THR606 |
| B | HOH2434 |
| site_id | BC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B1637 |
| Chain | Residue |
| B | ASP444 |
| B | GLY445 |
| B | PHE446 |
| B | THR447 |
| B | ASN499 |
| site_id | BC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL B1638 |
| Chain | Residue |
| A | TRP349 |
| A | GLY350 |
| B | GLU347 |
| B | ARG370 |
| B | LYS401 |
| B | SO41628 |
| B | HOH2255 |
| B | HOH2262 |
| B | HOH2435 |
| site_id | CC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL B1639 |
| Chain | Residue |
| B | ASN368 |
| B | TYR391 |
| B | ASP393 |
| B | LYS610 |
| B | HOH2246 |
| B | HOH2260 |
| B | HOH2436 |
| B | HOH2437 |
| B | HOH2438 |
Functional Information from PROSITE/UniProt
| site_id | PS01164 |
| Number of Residues | 14 |
| Details | COPPER_AMINE_OXID_1 Copper amine oxidase topaquinone signature. MVIsfftTigNYDY |
| Chain | Residue | Details |
| A | MET371-TYR384 |
| site_id | PS01165 |
| Number of Residues | 14 |
| Details | COPPER_AMINE_OXID_2 Copper amine oxidase copper-binding site signature. TfGltHFprvEDwP |
| Chain | Residue | Details |
| A | THR587-PRO600 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"UniProtKB","id":"P12807","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Schiff-base intermediate with substrate; via topaquinone","evidences":[{"source":"UniProtKB","id":"P12807","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 22 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"P12807","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 6 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"9405045","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1AV4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1AVL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IU7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IVU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IVV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IVW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IVX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1RJO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1SIH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1SII","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1UI8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1W4N","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1W5Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1W6C","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1W6G","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2BT3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CFD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CFG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CFK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CFL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CFW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CG0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CG1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CWT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CWU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CWV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2D1W","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2E2T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2E2U","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2E2V","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2YX9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ZL8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3AMO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KII","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KN4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3WA2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3WA3","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"2',4',5'-topaquinone","evidences":[{"source":"PubMed","id":"9405045","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1oac |
| Chain | Residue | Details |
| A | ASP298 |
| site_id | CSA2 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1oac |
| Chain | Residue | Details |
| B | ASP298 |
