4FEV
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP1
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005524 | molecular_function | ATP binding |
| A | 0016773 | molecular_function | phosphotransferase activity, alcohol group as acceptor |
| A | 0046677 | biological_process | response to antibiotic |
| B | 0005524 | molecular_function | ATP binding |
| B | 0016773 | molecular_function | phosphotransferase activity, alcohol group as acceptor |
| B | 0046677 | biological_process | response to antibiotic |
| C | 0005524 | molecular_function | ATP binding |
| C | 0016773 | molecular_function | phosphotransferase activity, alcohol group as acceptor |
| C | 0046677 | biological_process | response to antibiotic |
| D | 0005524 | molecular_function | ATP binding |
| D | 0016773 | molecular_function | phosphotransferase activity, alcohol group as acceptor |
| D | 0046677 | biological_process | response to antibiotic |
| E | 0005524 | molecular_function | ATP binding |
| E | 0016773 | molecular_function | phosphotransferase activity, alcohol group as acceptor |
| E | 0046677 | biological_process | response to antibiotic |
| F | 0005524 | molecular_function | ATP binding |
| F | 0016773 | molecular_function | phosphotransferase activity, alcohol group as acceptor |
| F | 0046677 | biological_process | response to antibiotic |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE KAN A 301 |
| Chain | Residue |
| A | SER36 |
| A | PHE271 |
| A | HOH409 |
| A | HOH459 |
| A | HOH460 |
| A | HOH465 |
| A | HOH476 |
| A | HOH479 |
| A | HOH488 |
| A | HOH514 |
| A | HOH610 |
| A | ASP165 |
| A | HOH624 |
| A | HOH628 |
| A | HOH643 |
| A | HOH661 |
| A | ASP167 |
| A | ASP198 |
| A | ARG219 |
| A | ASN234 |
| A | CYS235 |
| A | ASP268 |
| A | GLU269 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PP1 A 302 |
| Chain | Residue |
| A | ILE40 |
| A | PHE53 |
| A | PRO82 |
| A | ALA100 |
| A | ILE101 |
| A | GLN108 |
| A | ILE215 |
| A | HOH418 |
| A | HOH436 |
| B | GLN5 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA A 303 |
| Chain | Residue |
| A | THR76 |
| A | MET79 |
| A | HOH538 |
| A | HOH671 |
| A | HOH673 |
| site_id | AC4 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE KAN B 301 |
| Chain | Residue |
| B | ASP165 |
| B | ASP167 |
| B | ASP198 |
| B | ASN234 |
| B | CYS235 |
| B | ASP268 |
| B | GLU269 |
| B | PHE271 |
| B | HOH404 |
| B | HOH417 |
| B | HOH453 |
| B | HOH455 |
| B | HOH463 |
| B | HOH484 |
| B | HOH551 |
| C | HOH442 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PP1 B 302 |
| Chain | Residue |
| B | ILE40 |
| B | PHE53 |
| B | PRO82 |
| B | ALA100 |
| B | ILE101 |
| B | GLN108 |
| B | ASP216 |
| B | HOH426 |
| B | HOH483 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NA B 303 |
| Chain | Residue |
| B | THR76 |
| B | MET79 |
| B | HOH577 |
| B | HOH578 |
| site_id | AC7 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE KAN C 301 |
| Chain | Residue |
| C | ASP165 |
| C | ASP167 |
| C | ASP198 |
| C | ARG219 |
| C | ASN234 |
| C | CYS235 |
| C | ASP268 |
| C | GLU269 |
| C | PHE271 |
| C | HOH408 |
| C | HOH438 |
| C | HOH454 |
| C | HOH480 |
| C | HOH487 |
| C | HOH489 |
| C | HOH498 |
| C | HOH518 |
| C | HOH586 |
| C | HOH587 |
| C | HOH591 |
| C | HOH628 |
| D | SER2 |
| D | HIS3 |
| E | ARG6 |
| site_id | AC8 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PP1 C 302 |
| Chain | Residue |
| C | THR99 |
| C | ALA100 |
| C | ILE101 |
| C | GLN108 |
| C | ILE215 |
| D | GLN5 |
| C | VAL33 |
| C | ILE40 |
| C | PHE53 |
| C | LYS55 |
| C | GLU68 |
| C | PRO82 |
| C | LEU96 |
| C | THR98 |
| site_id | AC9 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE KAN D 301 |
| Chain | Residue |
| D | ASP165 |
| D | ASP167 |
| D | ASP198 |
| D | ASN234 |
| D | CYS235 |
| D | GLU238 |
| D | ASP268 |
| D | GLU269 |
| D | PHE271 |
| D | HOH439 |
| D | HOH444 |
| D | HOH450 |
| D | HOH459 |
| D | HOH480 |
| D | HOH557 |
| D | HOH563 |
| D | HOH576 |
| D | HOH582 |
| D | HOH619 |
| D | HOH641 |
| E | GLY252 |
| site_id | BC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PP1 D 302 |
| Chain | Residue |
| D | ILE40 |
| D | PHE53 |
| D | PRO82 |
| D | ALA100 |
| D | ILE101 |
| D | GLN108 |
| D | ILE215 |
| D | HOH448 |
| D | HOH489 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA D 303 |
| Chain | Residue |
| D | ASN234 |
| D | HOH455 |
| D | HOH488 |
| D | HOH638 |
| D | HOH641 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NA D 304 |
| Chain | Residue |
| D | THR76 |
| D | MET79 |
| D | HOH571 |
| D | HOH644 |
| site_id | BC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE ACT D 305 |
| Chain | Residue |
| D | ARG129 |
| D | TYR251 |
| site_id | BC5 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE KAN E 301 |
| Chain | Residue |
| E | SER2 |
| E | HIS3 |
| E | GLN35 |
| E | ASP165 |
| E | ASP167 |
| E | ASP198 |
| E | ASN234 |
| E | CYS235 |
| E | GLU238 |
| E | ASP268 |
| E | GLU269 |
| E | PHE271 |
| E | HOH436 |
| E | HOH446 |
| E | HOH455 |
| E | HOH458 |
| E | HOH560 |
| E | HOH602 |
| E | HOH617 |
| E | HOH618 |
| E | HOH634 |
| E | HOH638 |
| site_id | BC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PP1 E 302 |
| Chain | Residue |
| E | GLN5 |
| E | PHE53 |
| E | PRO82 |
| E | ALA100 |
| E | ILE101 |
| E | GLN108 |
| E | ILE215 |
| E | HOH413 |
| E | HOH466 |
| site_id | BC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA E 303 |
| Chain | Residue |
| E | THR76 |
| E | MET79 |
| E | HOH450 |
| E | HOH476 |
| E | HOH574 |
| site_id | BC8 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE KAN F 301 |
| Chain | Residue |
| A | GLY252 |
| F | ASP165 |
| F | ASP167 |
| F | ASP198 |
| F | ASN234 |
| F | CYS235 |
| F | GLU238 |
| F | ASP268 |
| F | GLU269 |
| F | PHE271 |
| F | HOH407 |
| F | HOH424 |
| F | HOH446 |
| F | HOH458 |
| F | HOH459 |
| F | HOH462 |
| F | HOH467 |
| F | HOH473 |
| F | HOH510 |
| F | HOH550 |
| F | HOH572 |
| site_id | BC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PP1 F 302 |
| Chain | Residue |
| F | PHE53 |
| F | PRO82 |
| F | ALA100 |
| F | ILE101 |
| F | GLN108 |
| F | ILE215 |
| F | HOH474 |
| F | HOH534 |
| site_id | CC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA F 303 |
| Chain | Residue |
| F | ASN234 |
| F | HOH408 |
| F | HOH438 |
| F | HOH446 |
| F | HOH480 |
| site_id | CC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA F 304 |
| Chain | Residue |
| F | THR76 |
| F | MET79 |
| F | HOH577 |
| F | HOH585 |
| F | HOH617 |
Functional Information from PROSITE/UniProt
| site_id | PS00109 |
| Number of Residues | 13 |
| Details | PROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. VTHgDFSLDNLIF |
| Chain | Residue | Details |
| A | VAL194-PHE206 |
