6I5D
Crystal structure of an OXA-48 beta-lactamase synthetic mutant
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 | 13 |
| Details | binding site for residue GOL A 301 |
| Chain | Residue |
| A | ASN200 |
| A | HOH452 |
| A | HOH539 |
| A | HOH544 |
| B | LYS116 |
| A | GLY201 |
| A | ASP202 |
| A | TYR203 |
| A | ILE204 |
| A | GLU226 |
| A | LEU227 |
| A | ASP228 |
| A | HOH434 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue GOL A 302 |
| Chain | Residue |
| A | LYS94 |
| A | TRP95 |
| A | ASP96 |
| A | GLU125 |
| A | HOH432 |
| A | HOH490 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | binding site for residue GOL A 303 |
| Chain | Residue |
| A | GLU185 |
| A | ARG186 |
| A | ARG189 |
| A | HOH476 |
| A | HOH487 |
| A | HOH492 |
| B | ARG186 |
| B | ARG189 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue CL A 304 |
| Chain | Residue |
| A | ARG206 |
| B | ARG206 |
| B | HOH537 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue NO3 A 305 |
| Chain | Residue |
| A | LYS73 |
| A | VAL120 |
| A | TYR123 |
| A | TRP157 |
| A | HOH405 |
| A | HOH525 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue NO3 A 306 |
| Chain | Residue |
| A | TRP105 |
| A | VAL120 |
| A | THR213 |
| A | ARG214 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue NO3 A 307 |
| Chain | Residue |
| A | LEU81 |
| A | SER184 |
| A | ARG186 |
| A | SER187 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | binding site for residue NO3 A 308 |
| Chain | Residue |
| A | LYS60 |
| A | ARG61 |
| A | GLN64 |
| A | HOH423 |
| A | HOH424 |
| B | GLU147 |
| B | HOH420 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue NO3 A 309 |
| Chain | Residue |
| A | ARG174 |
| A | LYS175 |
| A | HIS178 |
| A | LYS180 |
| A | HOH483 |
| site_id | AD1 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 310 |
| Chain | Residue |
| A | TRP47 |
| A | SER171 |
| A | ARG174 |
| site_id | AD2 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 311 |
| Chain | Residue |
| A | ASN32 |
| A | GLN41 |
| A | GLY42 |
| A | ASN57 |
| A | ASN58 |
| A | HOH424 |
| site_id | AD3 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 312 |
| Chain | Residue |
| A | ALA65 |
| A | GLY145 |
| A | ASN146 |
| A | ARG163 |
| A | GLU168 |
| B | LYS60 |
| site_id | AD4 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 313 |
| Chain | Residue |
| A | PHE66 |
| A | LEU67 |
| A | LYS217 |
| A | ILE218 |
| A | HOH431 |
| A | HOH472 |
| site_id | AD5 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 314 |
| Chain | Residue |
| A | LEU83 |
| A | VAL85 |
| A | ARG134 |
| A | HOH453 |
| site_id | AD6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 315 |
| Chain | Residue |
| A | ALA141 |
| A | PHE142 |
| A | LYS180 |
| A | LEU181 |
| A | HIS182 |
| site_id | AD7 |
| Number of Residues | 9 |
| Details | binding site for residue EDO A 316 |
| Chain | Residue |
| A | LYS73 |
| A | MET115 |
| A | SER118 |
| A | LYS208 |
| A | THR209 |
| A | GLY210 |
| A | TYR211 |
| A | LEU246 |
| A | HOH495 |
| site_id | AD8 |
| Number of Residues | 6 |
| Details | binding site for residue PEG A 317 |
| Chain | Residue |
| B | ASP228 |
| B | ASP229 |
| A | ASP108 |
| A | ASN110 |
| A | THR113 |
| A | HOH469 |
| site_id | AD9 |
| Number of Residues | 5 |
| Details | binding site for residue PO4 B 301 |
| Chain | Residue |
| B | GLU132 |
| B | SER136 |
| B | ILE149 |
| B | LYS217 |
| B | HOH451 |
| site_id | AE1 |
| Number of Residues | 5 |
| Details | binding site for residue GOL B 302 |
| Chain | Residue |
| B | ASN32 |
| B | GLN41 |
| B | GLY42 |
| B | ASN58 |
| B | HOH437 |
| site_id | AE2 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 303 |
| Chain | Residue |
| B | TRP25 |
| B | THR167 |
| B | SER171 |
| B | ARG174 |
| B | HOH474 |
| B | HOH534 |
| site_id | AE3 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 304 |
| Chain | Residue |
| A | ASN179 |
| A | GLU185 |
| A | ARG189 |
| B | LYS87 |
| B | ASP88 |
| B | ARG186 |
| site_id | AE4 |
| Number of Residues | 7 |
| Details | binding site for residue GOL B 305 |
| Chain | Residue |
| A | ASP228 |
| B | VAL92 |
| B | ASP108 |
| B | ASN110 |
| B | THR113 |
| B | HOH431 |
| B | HOH494 |
| site_id | AE5 |
| Number of Residues | 12 |
| Details | binding site for residue GOL B 306 |
| Chain | Residue |
| A | SER150 |
| A | GLY151 |
| A | GLY160 |
| A | GLY161 |
| B | ILE130 |
| B | GLY131 |
| B | GLU132 |
| B | ALA133 |
| B | ARG134 |
| B | HOH405 |
| B | HOH434 |
| B | HOH448 |
| site_id | AE6 |
| Number of Residues | 11 |
| Details | binding site for residue GOL B 307 |
| Chain | Residue |
| A | LYS116 |
| A | LYS208 |
| A | HOH427 |
| B | ASN200 |
| B | GLY201 |
| B | ASP202 |
| B | TYR203 |
| B | ILE204 |
| B | HOH411 |
| B | HOH424 |
| B | HOH478 |
| site_id | AE7 |
| Number of Residues | 7 |
| Details | binding site for residue GOL B 308 |
| Chain | Residue |
| B | LYS94 |
| B | TRP95 |
| B | ASP96 |
| B | ARG100 |
| B | GLU125 |
| B | GOL310 |
| B | HOH480 |
| site_id | AE8 |
| Number of Residues | 5 |
| Details | binding site for residue GOL B 309 |
| Chain | Residue |
| B | ALA65 |
| B | ASN146 |
| B | ARG163 |
| B | HOH452 |
| B | HOH469 |
| site_id | AE9 |
| Number of Residues | 9 |
| Details | binding site for residue GOL B 310 |
| Chain | Residue |
| A | SER243 |
| A | ASP244 |
| A | HOH480 |
| B | ARG100 |
| B | PRO121 |
| B | GLN124 |
| B | GLU125 |
| B | ARG128 |
| B | GOL308 |
| site_id | AF1 |
| Number of Residues | 2 |
| Details | binding site for residue GOL B 311 |
| Chain | Residue |
| B | GLY160 |
| B | GLY161 |
| site_id | AF2 |
| Number of Residues | 4 |
| Details | binding site for residue NO3 B 312 |
| Chain | Residue |
| B | LYS73 |
| B | TYR123 |
| B | TRP157 |
| B | HOH425 |
| site_id | AF3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 313 |
| Chain | Residue |
| B | ARG174 |
| B | LYS175 |
| B | HIS178 |
| B | LYS180 |
| B | HOH440 |
| site_id | AF4 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 314 |
| Chain | Residue |
| B | LEU227 |
| B | ASP228 |
| B | ASP229 |
| B | HOH419 |
| B | HOH463 |
| site_id | AF5 |
| Number of Residues | 10 |
| Details | binding site for residue EDO B 315 |
| Chain | Residue |
| B | THR197 |
| B | ALA207 |
| B | LYS208 |
| B | THR209 |
| B | GLY210 |
| B | TYR211 |
| B | TRP221 |
| B | LEU246 |
| B | GLN250 |
| B | HOH505 |
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 |
