5TNJ
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 4-Vinyl-1-cyclohexene 1,2-epoxide hydrolysis intermediate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004301 | molecular_function | epoxide hydrolase activity |
| A | 0005576 | cellular_component | extracellular region |
| A | 0043657 | cellular_component | host cell |
| B | 0004301 | molecular_function | epoxide hydrolase activity |
| B | 0005576 | cellular_component | extracellular region |
| B | 0043657 | cellular_component | host cell |
| C | 0004301 | molecular_function | epoxide hydrolase activity |
| C | 0005576 | cellular_component | extracellular region |
| C | 0043657 | cellular_component | host cell |
| D | 0004301 | molecular_function | epoxide hydrolase activity |
| D | 0005576 | cellular_component | extracellular region |
| D | 0043657 | cellular_component | host cell |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | binding site for residue AVH A 401 |
| Chain | Residue |
| A | ASP129 |
| A | VAL175 |
| A | HIS177 |
| A | PHE178 |
| A | TYR239 |
| A | MET272 |
| A | HIS297 |
| A | 8MD402 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue 8MD A 402 |
| Chain | Residue |
| A | HIS177 |
| A | TYR239 |
| A | HIS297 |
| A | AVH401 |
| A | HOH510 |
| A | ASP129 |
| site_id | AC3 |
| Number of Residues | 15 |
| Details | binding site for Di-peptide BVH B 401 and ASP B 129 |
| Chain | Residue |
| B | PHE63 |
| B | HIS128 |
| B | ILE130 |
| B | GLY131 |
| B | ILE132 |
| B | MET152 |
| B | GLN153 |
| B | ALA154 |
| B | LEU174 |
| B | HIS177 |
| B | PHE178 |
| B | TYR239 |
| B | HIS297 |
| B | DVH402 |
| B | HOH637 |
| site_id | AC4 |
| Number of Residues | 15 |
| Details | binding site for Di-peptide BVH B 401 and ASP B 129 |
| Chain | Residue |
| B | PHE63 |
| B | HIS128 |
| B | ILE130 |
| B | GLY131 |
| B | ILE132 |
| B | MET152 |
| B | GLN153 |
| B | ALA154 |
| B | LEU174 |
| B | HIS177 |
| B | PHE178 |
| B | TYR239 |
| B | HIS297 |
| B | DVH402 |
| B | HOH637 |
| site_id | AC5 |
| Number of Residues | 16 |
| Details | binding site for Di-peptide DVH B 402 and ASP B 129 |
| Chain | Residue |
| B | PHE63 |
| B | HIS128 |
| B | ILE130 |
| B | GLY131 |
| B | ILE132 |
| B | MET152 |
| B | GLN153 |
| B | ALA154 |
| B | PRO155 |
| B | VAL175 |
| B | HIS177 |
| B | TYR239 |
| B | MET272 |
| B | HIS297 |
| B | BVH401 |
| B | HOH637 |
| site_id | AC6 |
| Number of Residues | 16 |
| Details | binding site for Di-peptide DVH B 402 and ASP B 129 |
| Chain | Residue |
| B | PHE63 |
| B | HIS128 |
| B | ILE130 |
| B | GLY131 |
| B | ILE132 |
| B | MET152 |
| B | GLN153 |
| B | ALA154 |
| B | PRO155 |
| B | VAL175 |
| B | HIS177 |
| B | TYR239 |
| B | MET272 |
| B | HIS297 |
| B | BVH401 |
| B | HOH637 |
| site_id | AC7 |
| Number of Residues | 17 |
| Details | binding site for Di-peptide BVH C 401 and ASP C 129 |
| Chain | Residue |
| C | PHE63 |
| C | HIS128 |
| C | ILE130 |
| C | GLY131 |
| C | ILE132 |
| C | MET152 |
| C | GLN153 |
| C | ALA154 |
| C | LEU174 |
| C | VAL175 |
| C | HIS177 |
| C | PHE178 |
| C | TYR239 |
| C | HIS297 |
| C | DVH402 |
| C | HOH518 |
| C | HOH650 |
| site_id | AC8 |
| Number of Residues | 17 |
| Details | binding site for Di-peptide BVH C 401 and ASP C 129 |
| Chain | Residue |
| C | GLN153 |
| C | ALA154 |
| C | LEU174 |
| C | VAL175 |
| C | HIS177 |
| C | PHE178 |
| C | TYR239 |
| C | HIS297 |
| C | DVH402 |
| C | HOH518 |
| C | HOH650 |
| C | PHE63 |
| C | HIS128 |
| C | ILE130 |
| C | GLY131 |
| C | ILE132 |
| C | MET152 |
| site_id | AC9 |
| Number of Residues | 16 |
| Details | binding site for Di-peptide DVH C 402 and ASP C 129 |
| Chain | Residue |
| C | PHE63 |
| C | HIS128 |
| C | ILE130 |
| C | GLY131 |
| C | ILE132 |
| C | MET152 |
| C | GLN153 |
| C | ALA154 |
| C | PRO155 |
| C | VAL175 |
| C | HIS177 |
| C | TYR239 |
| C | MET272 |
| C | HIS297 |
| C | BVH401 |
| C | HOH650 |
| site_id | AD1 |
| Number of Residues | 16 |
| Details | binding site for Di-peptide DVH C 402 and ASP C 129 |
| Chain | Residue |
| C | PHE63 |
| C | HIS128 |
| C | ILE130 |
| C | GLY131 |
| C | ILE132 |
| C | MET152 |
| C | GLN153 |
| C | ALA154 |
| C | PRO155 |
| C | VAL175 |
| C | HIS177 |
| C | TYR239 |
| C | MET272 |
| C | HIS297 |
| C | BVH401 |
| C | HOH650 |
| site_id | AD2 |
| Number of Residues | 15 |
| Details | binding site for Di-peptide BVH D 401 and ASP D 129 |
| Chain | Residue |
| D | PHE63 |
| D | HIS128 |
| D | ILE130 |
| D | GLY131 |
| D | ILE132 |
| D | MET152 |
| D | GLN153 |
| D | ALA154 |
| D | LEU174 |
| D | HIS177 |
| D | PHE178 |
| D | TYR239 |
| D | HIS297 |
| D | DVH402 |
| D | HOH644 |
| site_id | AD3 |
| Number of Residues | 15 |
| Details | binding site for Di-peptide BVH D 401 and ASP D 129 |
| Chain | Residue |
| D | PHE63 |
| D | HIS128 |
| D | ILE130 |
| D | GLY131 |
| D | ILE132 |
| D | MET152 |
| D | GLN153 |
| D | ALA154 |
| D | LEU174 |
| D | HIS177 |
| D | PHE178 |
| D | TYR239 |
| D | HIS297 |
| D | DVH402 |
| D | HOH644 |
| site_id | AD4 |
| Number of Residues | 16 |
| Details | binding site for Di-peptide DVH D 402 and ASP D 129 |
| Chain | Residue |
| D | PHE63 |
| D | HIS128 |
| D | ILE130 |
| D | GLY131 |
| D | ILE132 |
| D | MET152 |
| D | GLN153 |
| D | ALA154 |
| D | PRO155 |
| D | VAL175 |
| D | HIS177 |
| D | TYR239 |
| D | MET272 |
| D | HIS297 |
| D | BVH401 |
| D | HOH644 |
| site_id | AD5 |
| Number of Residues | 16 |
| Details | binding site for Di-peptide DVH D 402 and ASP D 129 |
| Chain | Residue |
| D | PHE63 |
| D | HIS128 |
| D | ILE130 |
| D | GLY131 |
| D | ILE132 |
| D | MET152 |
| D | GLN153 |
| D | ALA154 |
| D | PRO155 |
| D | VAL175 |
| D | HIS177 |
| D | TYR239 |
| D | MET272 |
| D | HIS297 |
| D | BVH401 |
| D | HOH644 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 440 |
| Details | Domain: {"description":"AB hydrolase-1","evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Nucleophile; hydroxyalkyl-enzyme intermediate","evidences":[{"source":"PubMed","id":"26752215","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27980032","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"28392259","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20118260","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"21933119","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"26136396","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"4DNF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4DNO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JYC","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Active site: {"evidences":[{"source":"PubMed","id":"20118260","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"21933119","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"26136396","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"26752215","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"20118260","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"21933119","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"26136396","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"26752215","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"26752215","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27980032","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"28392259","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4DNF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4DNO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4EHB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4EUS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JYC","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
