5J6D
Discovery of acyl guanidine tryptophan hydroxylase-1 inhibitors
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004497 | molecular_function | monooxygenase activity |
| A | 0005506 | molecular_function | iron ion binding |
| A | 0009072 | biological_process | aromatic amino acid metabolic process |
| A | 0016714 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced pteridine as one donor, and incorporation of one atom of oxygen |
| B | 0004497 | molecular_function | monooxygenase activity |
| B | 0005506 | molecular_function | iron ion binding |
| B | 0009072 | biological_process | aromatic amino acid metabolic process |
| B | 0016714 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced pteridine as one donor, and incorporation of one atom of oxygen |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue FE A 501 |
| Chain | Residue |
| A | HIS272 |
| A | HIS277 |
| A | GLU317 |
| A | TRS502 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | binding site for residue TRS A 502 |
| Chain | Residue |
| A | FE501 |
| A | 6H5504 |
| A | HOH606 |
| A | HOH621 |
| A | HIS272 |
| A | GLU273 |
| A | HIS277 |
| A | TYR312 |
| A | GLU317 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 503 |
| Chain | Residue |
| A | TRP107 |
| A | LYS110 |
| A | ASP114 |
| B | VAL122 |
| B | MET124 |
| site_id | AC4 |
| Number of Residues | 22 |
| Details | binding site for residue 6H5 A 504 |
| Chain | Residue |
| A | TYR235 |
| A | LEU236 |
| A | ARG257 |
| A | TYR264 |
| A | THR265 |
| A | PRO266 |
| A | GLU267 |
| A | PRO268 |
| A | HIS272 |
| A | ALA309 |
| A | TYR312 |
| A | PHE313 |
| A | GLU317 |
| A | GLY333 |
| A | SER336 |
| A | SER337 |
| A | ILE366 |
| A | TRS502 |
| A | HOH641 |
| A | HOH696 |
| B | MET102 |
| B | THR104 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue FE B 501 |
| Chain | Residue |
| B | HIS272 |
| B | HIS277 |
| B | GLU317 |
| B | TRS502 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | binding site for residue TRS B 502 |
| Chain | Residue |
| B | PHE241 |
| B | PRO268 |
| B | HIS272 |
| B | GLU273 |
| B | HIS277 |
| B | GLU317 |
| B | FE501 |
| B | 6H5504 |
| B | HOH603 |
| B | HOH605 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | binding site for residue GOL B 503 |
| Chain | Residue |
| A | VAL122 |
| A | MET124 |
| B | TRP107 |
| B | LYS110 |
| B | LYS111 |
| B | ASP114 |
| B | HOH613 |
| site_id | AC8 |
| Number of Residues | 17 |
| Details | binding site for residue 6H5 B 504 |
| Chain | Residue |
| A | MET102 |
| B | LEU129 |
| B | TYR235 |
| B | LEU236 |
| B | ARG257 |
| B | TYR264 |
| B | THR265 |
| B | PRO268 |
| B | HIS272 |
| B | TYR312 |
| B | PHE313 |
| B | GLU317 |
| B | GLY333 |
| B | SER336 |
| B | SER337 |
| B | ILE366 |
| B | TRS502 |
Functional Information from PROSITE/UniProt
| site_id | PS00367 |
| Number of Residues | 12 |
| Details | BH4_AAA_HYDROXYL_1 Biopterin-dependent aromatic amino acid hydroxylases signature. PDtcHELLGHVP |
| Chain | Residue | Details |
| A | PRO268-PRO279 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 10 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:P70080 |
| Chain | Residue | Details |
| A | TYR235 | |
| B | ILE366 | |
| A | ARG257 | |
| A | THR265 | |
| A | SER336 | |
| A | ILE366 | |
| B | TYR235 | |
| B | ARG257 | |
| B | THR265 | |
| B | SER336 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:12379098, ECO:0007744|PDB:1MLW |
| Chain | Residue | Details |
| A | HIS272 | |
| A | HIS277 | |
| A | GLU317 | |
| B | HIS272 | |
| B | HIS277 | |
| B | GLU317 |
