6HOO
Crystal Structure of Rationally Designed OXA-48loop18 beta-lactamase
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 | 8 |
Details | binding site for residue SO4 A 301 |
Chain | Residue |
A | GLN193 |
A | ARG206 |
A | HOH410 |
A | HOH426 |
A | HOH438 |
A | HOH439 |
B | GLN193 |
B | ARG206 |
site_id | AC2 |
Number of Residues | 3 |
Details | binding site for residue SO4 A 302 |
Chain | Residue |
A | GLU132 |
A | ALA133 |
A | GLY131 |
site_id | AC3 |
Number of Residues | 4 |
Details | binding site for residue SO4 A 303 |
Chain | Residue |
A | ASN48 |
A | LYS51 |
A | ASN236 |
A | HOH422 |
site_id | AC4 |
Number of Residues | 6 |
Details | binding site for residue SO4 A 304 |
Chain | Residue |
A | VAL92 |
A | ARG107 |
A | ASP108 |
A | ASN110 |
A | THR113 |
B | ASP234 |
site_id | AC5 |
Number of Residues | 8 |
Details | binding site for residue SO4 A 305 |
Chain | Residue |
A | OSE70 |
A | SER118 |
A | THR209 |
A | GLY210 |
A | THR211 |
A | ASP250 |
A | ARG255 |
A | HOH423 |
site_id | AC6 |
Number of Residues | 5 |
Details | binding site for residue GOL A 306 |
Chain | Residue |
A | LYS23 |
A | TRP47 |
A | SER171 |
A | ARG174 |
A | HOH407 |
site_id | AC7 |
Number of Residues | 3 |
Details | binding site for residue GOL A 307 |
Chain | Residue |
A | SER184 |
A | GLU185 |
A | ARG186 |
site_id | AC8 |
Number of Residues | 7 |
Details | binding site for residue GOL A 308 |
Chain | Residue |
A | LYS94 |
A | TRP95 |
A | ASP96 |
A | ARG100 |
A | PRO121 |
A | GLU125 |
A | HOH428 |
site_id | AC9 |
Number of Residues | 7 |
Details | binding site for residue GOL A 309 |
Chain | Residue |
A | ASN200 |
A | GLY201 |
A | GLU232 |
A | LEU233 |
A | ASP234 |
B | ILE112 |
B | LYS116 |
site_id | AD1 |
Number of Residues | 3 |
Details | binding site for residue SO4 B 301 |
Chain | Residue |
B | SER184 |
B | GLU185 |
B | HOH441 |
site_id | AD2 |
Number of Residues | 2 |
Details | binding site for residue SO4 B 302 |
Chain | Residue |
A | ASP235 |
B | ARG107 |
site_id | AD3 |
Number of Residues | 8 |
Details | binding site for residue SO4 B 303 |
Chain | Residue |
B | OSE70 |
B | SER118 |
B | THR209 |
B | GLY210 |
B | THR211 |
B | LEU252 |
B | ARG255 |
B | HOH417 |
site_id | AD4 |
Number of Residues | 4 |
Details | binding site for residue SO4 B 304 |
Chain | Residue |
B | GLY131 |
B | GLU132 |
B | ALA133 |
B | HOH431 |
site_id | AD5 |
Number of Residues | 3 |
Details | binding site for residue GOL B 305 |
Chain | Residue |
B | THR167 |
B | SER171 |
B | ARG174 |
site_id | AD6 |
Number of Residues | 9 |
Details | binding site for residue GOL B 306 |
Chain | Residue |
A | ILE112 |
A | LYS116 |
B | ASN200 |
B | GLY201 |
B | ASP202 |
B | TYR203 |
B | GLU232 |
B | LEU233 |
B | ASP234 |
site_id | AD7 |
Number of Residues | 8 |
Details | binding site for residue GOL B 307 |
Chain | Residue |
B | LYS116 |
B | ALA194 |
B | LEU196 |
B | THR197 |
B | ALA207 |
B | LYS208 |
B | HOH404 |
B | HOH445 |
site_id | AD8 |
Number of Residues | 7 |
Details | binding site for residue GOL B 308 |
Chain | Residue |
B | LYS94 |
B | TRP95 |
B | ASP96 |
B | ARG100 |
B | PRO121 |
B | GLU125 |
B | HOH416 |
site_id | AD9 |
Number of Residues | 4 |
Details | binding site for residue GOL B 309 |
Chain | Residue |
B | ASN48 |
B | LYS51 |
B | ASN236 |
B | TRP238 |
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 | 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 |
site_id | SWS_FT_FI3 |
Number of Residues | 6 |
Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"Q8RLA6","evidenceCode":"ECO:0000250"}]} |
Chain | Residue | Details |
site_id | SWS_FT_FI4 |
Number of Residues | 2 |
Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"P13661","evidenceCode":"ECO:0000250"}]} |
Chain | Residue | Details |