6P9C
OXA-48 carbapanemase, doripenem complex
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0008658 | molecular_function | penicillin binding |
| A | 0008800 | molecular_function | beta-lactamase activity |
| A | 0017001 | biological_process | antibiotic catabolic process |
| B | 0008658 | molecular_function | penicillin binding |
| B | 0008800 | molecular_function | beta-lactamase activity |
| B | 0017001 | biological_process | antibiotic catabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 11 |
| Details | binding site for residue 4J6 A 301 |
| Chain | Residue |
| A | ALA69 |
| A | ARG250 |
| A | HOH419 |
| A | SER70 |
| A | SER118 |
| A | GLU132 |
| A | LEU158 |
| A | THR209 |
| A | GLY210 |
| A | TYR211 |
| A | LEU247 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | binding site for residue O6P A 302 |
| Chain | Residue |
| A | ASN48 |
| A | LYS51 |
| A | LEU228 |
| A | ASP230 |
| A | ASN231 |
| A | TRP233 |
| A | GLU261 |
| A | LYS262 |
| A | ILE263 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | binding site for residue CL A 303 |
| Chain | Residue |
| A | LYS73 |
| A | TRP157 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue CL A 304 |
| Chain | Residue |
| A | ARG206 |
| B | ARG206 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue CA A 305 |
| Chain | Residue |
| A | HIS34 |
| A | GLU37 |
| A | GLU256 |
| A | CD307 |
| site_id | AC6 |
| Number of Residues | 1 |
| Details | binding site for residue CA A 306 |
| Chain | Residue |
| A | ASP154 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue CD A 307 |
| Chain | Residue |
| A | GLU37 |
| A | HIS38 |
| A | GLU125 |
| A | GLU256 |
| A | CA305 |
| site_id | AC8 |
| Number of Residues | 12 |
| Details | binding site for residue 4J6 B 301 |
| Chain | Residue |
| B | ALA69 |
| B | SER70 |
| B | SER118 |
| B | LEU158 |
| B | LYS208 |
| B | THR209 |
| B | GLY210 |
| B | TYR211 |
| B | SER244 |
| B | LEU247 |
| B | ARG250 |
| B | HOH464 |
| site_id | AC9 |
| Number of Residues | 9 |
| Details | binding site for residue O6P B 302 |
| Chain | Residue |
| B | ASN48 |
| B | LYS51 |
| B | LEU228 |
| B | ASP230 |
| B | ASN231 |
| B | TRP233 |
| B | GLU261 |
| B | LYS262 |
| B | ILE263 |
| site_id | AD1 |
| Number of Residues | 2 |
| Details | binding site for residue CL B 303 |
| Chain | Residue |
| B | LYS73 |
| B | TRP157 |
| site_id | AD2 |
| Number of Residues | 7 |
| Details | binding site for residue CA B 305 |
| Chain | Residue |
| A | ASP143 |
| A | GLU147 |
| A | HOH413 |
| B | ASP143 |
| B | GLU147 |
| B | HOH446 |
| B | HOH452 |
| site_id | AD3 |
| Number of Residues | 7 |
| Details | binding site for residue CD B 306 |
| Chain | Residue |
| A | GLU147 |
| A | HOH486 |
| B | ASP143 |
| B | GLU147 |
| B | HOH401 |
| B | HOH404 |
| B | HOH423 |
Functional Information from PROSITE/UniProt
| site_id | PS00337 |
| Number of Residues | 11 |
| Details | BETA_LACTAMASE_D Beta-lactamase class-D active site. PaSTFKIPnSL |
| Chain | Residue | Details |
| A | PRO68-LEU78 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Acyl-ester intermediate","evidences":[{"source":"PIRSR","id":"PIRSR602137-50","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"25406838","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26731698","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"31358584","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"32150407","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4WMC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5FAQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5FAS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6P97","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6P98","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6P99","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6P9C","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6V1O","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"Q8RLA6","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"P13661","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N6-carboxylysine","evidences":[{"source":"PIRSR","id":"PIRSR602137-50","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"19477418","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25406838","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3HBR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4WMC","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
