6QWB
Crystal structure of KPC-4 complexed with relebactam (16 hour soak)
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | binding site for residue SO4 A 301 |
| Chain | Residue |
| A | SER70 |
| A | HOH444 |
| A | HOH459 |
| A | HOH574 |
| A | SER130 |
| A | THR216 |
| A | LYS234 |
| A | THR235 |
| A | GLY236 |
| A | THR237 |
| A | JJT305 |
| A | MK7307 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 A 302 |
| Chain | Residue |
| A | SER275 |
| A | GLU276 |
| A | ALA277 |
| A | HOH438 |
| A | HOH440 |
| A | HOH519 |
| A | HOH635 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 303 |
| Chain | Residue |
| A | GLY239 |
| A | LYS273 |
| A | HIS274 |
| A | HOH428 |
| A | HOH479 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 304 |
| Chain | Residue |
| A | GLN86 |
| A | ARG104 |
| A | TRP105 |
| site_id | AC5 |
| Number of Residues | 15 |
| Details | binding site for residue JJT A 305 |
| Chain | Residue |
| A | SER70 |
| A | LYS73 |
| A | TRP105 |
| A | SER130 |
| A | ASN132 |
| A | ASN170 |
| A | GLY236 |
| A | THR237 |
| A | CYS238 |
| A | SO4301 |
| A | MK7307 |
| A | HOH406 |
| A | HOH421 |
| A | HOH522 |
| A | HOH645 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 306 |
| Chain | Residue |
| A | GLN205 |
| A | LYS212 |
| A | ALA230 |
| A | TRP251 |
| A | HOH419 |
| A | HOH425 |
| A | HOH484 |
| site_id | AC7 |
| Number of Residues | 21 |
| Details | binding site for residue MK7 A 307 |
| Chain | Residue |
| A | SER70 |
| A | LYS73 |
| A | ALA88 |
| A | ARG104 |
| A | TRP105 |
| A | SER130 |
| A | ASN132 |
| A | THR216 |
| A | THR235 |
| A | GLY236 |
| A | THR237 |
| A | CYS238 |
| A | SO4301 |
| A | JJT305 |
| A | HOH406 |
| A | HOH421 |
| A | HOH444 |
| A | HOH459 |
| A | HOH522 |
| A | HOH574 |
| A | HOH645 |
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 |
