6QW9
Crystal structure of KPC-2 complexed with relebactam (16 hour soak)
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 301 |
| Chain | Residue |
| A | ARG61 |
| A | THR254 |
| A | GLY255 |
| A | HOH654 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | binding site for residue SO4 A 302 |
| Chain | Residue |
| A | HOH438 |
| A | HOH525 |
| A | HOH558 |
| A | SER275 |
| A | GLU276 |
| A | ALA277 |
| A | HOH410 |
| A | HOH422 |
| site_id | AC3 |
| Number of Residues | 12 |
| Details | binding site for residue SO4 A 303 |
| Chain | Residue |
| A | SER70 |
| A | SER130 |
| A | THR216 |
| A | LYS234 |
| A | THR235 |
| A | GLY236 |
| A | THR237 |
| A | MK7305 |
| A | JJT306 |
| A | HOH467 |
| A | HOH490 |
| A | HOH542 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | binding site for residue GOL A 304 |
| Chain | Residue |
| A | GLN205 |
| A | LYS212 |
| A | ALA230 |
| A | TRP251 |
| A | HOH417 |
| A | HOH427 |
| A | HOH447 |
| A | HOH478 |
| site_id | AC5 |
| Number of Residues | 22 |
| Details | binding site for residue MK7 A 305 |
| Chain | Residue |
| A | CYS69 |
| A | SER70 |
| A | LYS73 |
| A | ALA88 |
| A | TRP105 |
| A | SER130 |
| A | ASN132 |
| A | ASN170 |
| A | THR216 |
| A | LYS234 |
| A | THR235 |
| A | GLY236 |
| A | THR237 |
| A | CYS238 |
| A | SO4303 |
| A | JJT306 |
| A | HOH408 |
| A | HOH415 |
| A | HOH467 |
| A | HOH490 |
| A | HOH537 |
| A | HOH542 |
| site_id | AC6 |
| Number of Residues | 11 |
| Details | binding site for residue JJT A 306 |
| Chain | Residue |
| A | SER70 |
| A | LYS73 |
| A | TRP105 |
| A | SER130 |
| A | ASN132 |
| A | GLY236 |
| A | THR237 |
| A | SO4303 |
| A | MK7305 |
| A | HOH415 |
| A | HOH537 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Nucleophile; acyl-ester intermediate => ECO:0000269|PubMed:33257320, ECO:0007744|PDB:6Z23, ECO:0007744|PDB:6Z24 |
| Chain | Residue | Details |
| A | SER70 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton acceptor => ECO:0000250 |
| Chain | Residue | Details |
| A | GLU168 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:28388065, ECO:0000269|PubMed:33257320, ECO:0007744|PDB:5UJ3, ECO:0007744|PDB:6Z23, ECO:0007744|PDB:6Z24 |
| Chain | Residue | Details |
| A | SER70 | |
| A | THR237 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:28388065, ECO:0007744|PDB:5UJ3 |
| Chain | Residue | Details |
| A | LYS73 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:33257320, ECO:0000312|PDB:6Z24 |
| Chain | Residue | Details |
| A | TRP105 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:28388065, ECO:0000269|PubMed:33257320, ECO:0007744|PDB:5UJ3, ECO:0007744|PDB:6Z23 |
| Chain | Residue | Details |
| A | SER130 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:33257320, ECO:0007744|PDB:6Z23, ECO:0007744|PDB:6Z24 |
| Chain | Residue | Details |
| A | ASN132 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:28388065, ECO:0007744|PDB:5UJ3, ECO:0007744|PDB:6Z24 |
| Chain | Residue | Details |
| A | THR235 |
