4FEW
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP2
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 | 25 |
| Details | BINDING SITE FOR RESIDUE KAN A 301 |
| Chain | Residue |
| A | GLN35 |
| A | ASP268 |
| A | GLU269 |
| A | PHE271 |
| A | HOH418 |
| A | HOH442 |
| A | HOH444 |
| A | HOH453 |
| A | HOH475 |
| A | HOH489 |
| A | HOH491 |
| A | ASP165 |
| A | HOH536 |
| A | HOH558 |
| A | HOH579 |
| A | HOH601 |
| A | HOH606 |
| D | ARG6 |
| A | PHE166 |
| A | ASP167 |
| A | ASP198 |
| A | ARG219 |
| A | ASN234 |
| A | CYS235 |
| A | GLU238 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PP2 A 302 |
| Chain | Residue |
| A | ILE40 |
| A | PHE53 |
| A | PRO82 |
| A | ALA100 |
| A | ILE101 |
| A | GLN108 |
| A | ILE215 |
| A | HOH441 |
| A | HOH445 |
| B | GLN5 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA A 303 |
| Chain | Residue |
| A | THR76 |
| A | MSE79 |
| A | ACT305 |
| A | HOH486 |
| A | HOH510 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL A 304 |
| Chain | Residue |
| A | HIS56 |
| A | LYS58 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACT A 305 |
| Chain | Residue |
| A | THR76 |
| A | ALA77 |
| A | PHE78 |
| A | MSE79 |
| A | PRO80 |
| A | NA303 |
| site_id | AC6 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE KAN B 301 |
| Chain | Residue |
| B | ASP165 |
| B | PHE166 |
| B | ASP167 |
| B | ASP198 |
| B | ASN234 |
| B | CYS235 |
| B | ASP268 |
| B | GLU269 |
| B | PHE271 |
| B | HOH415 |
| B | HOH422 |
| B | HOH435 |
| B | HOH439 |
| B | HOH449 |
| B | HOH471 |
| B | HOH474 |
| B | HOH496 |
| site_id | AC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PP2 B 302 |
| Chain | Residue |
| B | ILE40 |
| B | PHE53 |
| B | PRO82 |
| B | ALA100 |
| B | ILE101 |
| B | GLN108 |
| B | ILE215 |
| B | ASP216 |
| B | HOH477 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NA B 303 |
| Chain | Residue |
| B | THR76 |
| B | MSE79 |
| B | PRO80 |
| B | ACT304 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT B 304 |
| Chain | Residue |
| B | THR76 |
| B | MSE79 |
| B | PRO80 |
| B | NA303 |
| site_id | BC1 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE KAN C 301 |
| Chain | Residue |
| C | HOH452 |
| C | HOH454 |
| C | HOH478 |
| D | SER2 |
| D | HIS3 |
| F | ARG6 |
| C | GLN35 |
| C | ASP165 |
| C | ASP167 |
| C | ASP198 |
| C | ARG219 |
| C | ASN234 |
| C | CYS235 |
| C | ASP268 |
| C | GLU269 |
| C | PHE271 |
| C | HOH402 |
| C | HOH417 |
| C | HOH428 |
| C | HOH429 |
| C | HOH440 |
| C | HOH449 |
| C | HOH450 |
| site_id | BC2 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE PP2 C 302 |
| Chain | Residue |
| C | PHE53 |
| C | LYS55 |
| C | GLU68 |
| C | PRO82 |
| C | LEU96 |
| C | THR98 |
| C | THR99 |
| C | ALA100 |
| C | ILE101 |
| C | GLN108 |
| C | ILE215 |
| D | GLN5 |
| site_id | BC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG C 303 |
| Chain | Residue |
| C | ARG129 |
| C | SER133 |
| C | GLY252 |
| site_id | BC4 |
| 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 | HOH402 |
| D | HOH403 |
| D | HOH417 |
| D | HOH418 |
| D | HOH436 |
| D | HOH480 |
| D | HOH526 |
| D | HOH529 |
| D | HOH539 |
| D | HOH583 |
| E | GLY252 |
| E | HOH530 |
| site_id | BC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PP2 D 302 |
| Chain | Residue |
| D | ILE40 |
| D | PHE53 |
| D | PRO82 |
| D | ALA100 |
| D | ILE101 |
| D | GLN108 |
| D | ILE215 |
| D | HOH430 |
| D | HOH500 |
| site_id | BC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA D 303 |
| Chain | Residue |
| D | ASN234 |
| D | HOH469 |
| D | HOH522 |
| D | HOH583 |
| D | HOH612 |
| site_id | BC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NA D 304 |
| Chain | Residue |
| D | THR76 |
| D | MSE79 |
| D | ACT306 |
| D | HOH524 |
| site_id | BC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT D 305 |
| Chain | Residue |
| D | TRP233 |
| D | LEU261 |
| D | GLN262 |
| D | HOH613 |
| site_id | BC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT D 306 |
| Chain | Residue |
| D | THR76 |
| D | ALA77 |
| D | MSE79 |
| D | NA304 |
| site_id | CC1 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE KAN E 301 |
| Chain | Residue |
| E | SER36 |
| E | ASP165 |
| E | ASP167 |
| E | ASP198 |
| E | ASN234 |
| E | CYS235 |
| E | GLU238 |
| E | ASP268 |
| E | GLU269 |
| E | PHE271 |
| E | HOH434 |
| E | HOH469 |
| E | HOH479 |
| E | HOH485 |
| E | HOH492 |
| E | HOH496 |
| E | HOH510 |
| E | HOH560 |
| F | SER2 |
| F | HIS3 |
| site_id | CC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE PP2 E 302 |
| Chain | Residue |
| E | ILE40 |
| E | PHE53 |
| E | PRO82 |
| E | ALA100 |
| E | ILE101 |
| E | GLN108 |
| E | ILE215 |
| E | ASP216 |
| E | HOH444 |
| E | HOH473 |
| F | GLN5 |
| site_id | CC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA E 303 |
| Chain | Residue |
| E | THR76 |
| E | MSE79 |
| E | ACT304 |
| E | HOH521 |
| E | HOH581 |
| site_id | CC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACT E 304 |
| Chain | Residue |
| E | THR76 |
| E | ALA77 |
| E | PHE78 |
| E | MSE79 |
| E | PRO80 |
| E | NA303 |
| site_id | CC5 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE KAN F 301 |
| Chain | Residue |
| A | GLY252 |
| F | ASP165 |
| F | PHE166 |
| F | ASP167 |
| F | ASP198 |
| F | ASN234 |
| F | CYS235 |
| F | GLU238 |
| F | ASP268 |
| F | GLU269 |
| F | PHE271 |
| F | HOH410 |
| F | HOH411 |
| F | HOH424 |
| F | HOH431 |
| F | HOH433 |
| F | HOH442 |
| F | HOH478 |
| F | HOH513 |
| F | HOH551 |
| F | HOH578 |
| site_id | CC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PP2 F 302 |
| Chain | Residue |
| F | PHE53 |
| F | PRO82 |
| F | ALA100 |
| F | ILE101 |
| F | GLN108 |
| F | ILE215 |
| F | HOH405 |
| F | HOH500 |
| F | HOH540 |
| site_id | CC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA F 303 |
| Chain | Residue |
| F | ASN234 |
| F | HOH513 |
| F | HOH515 |
| F | HOH525 |
| F | HOH600 |
| site_id | CC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA F 304 |
| Chain | Residue |
| F | THR76 |
| F | MSE79 |
| F | ACT305 |
| F | HOH595 |
| F | HOH602 |
| site_id | CC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACT F 305 |
| Chain | Residue |
| F | THR76 |
| F | ALA77 |
| F | MSE79 |
| F | PRO80 |
| F | NA304 |
| F | HOH603 |
| site_id | DC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG F 306 |
| Chain | Residue |
| F | TYR113 |
| F | GLY209 |
| F | HOH589 |
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 |
