4XBY
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0018744 | molecular_function | limonene-1,2-epoxide hydrolase activity |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0018744 | molecular_function | limonene-1,2-epoxide hydrolase activity |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0018744 | molecular_function | limonene-1,2-epoxide hydrolase activity |
| D | 0016787 | molecular_function | hydrolase activity |
| D | 0018744 | molecular_function | limonene-1,2-epoxide hydrolase activity |
| E | 0016787 | molecular_function | hydrolase activity |
| E | 0018744 | molecular_function | limonene-1,2-epoxide hydrolase activity |
| F | 0016787 | molecular_function | hydrolase activity |
| F | 0018744 | molecular_function | limonene-1,2-epoxide hydrolase activity |
| G | 0016787 | molecular_function | hydrolase activity |
| G | 0018744 | molecular_function | limonene-1,2-epoxide hydrolase activity |
| H | 0016787 | molecular_function | hydrolase activity |
| H | 0018744 | molecular_function | limonene-1,2-epoxide hydrolase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | binding site for residue 3ZS C 201 |
| Chain | Residue |
| C | LEU35 |
| C | TYR53 |
| C | LEU71 |
| C | VAL80 |
| C | TRP130 |
| C | HOH386 |
| C | HOH390 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue 3ZS D 201 |
| Chain | Residue |
| D | LEU71 |
| D | VAL80 |
| D | HOH320 |
| D | HOH347 |
| D | HOH397 |
| D | LEU35 |
| D | TYR53 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | binding site for residue 3ZS A 201 |
| Chain | Residue |
| A | TYR53 |
| A | PHE74 |
| A | HOH391 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue 3ZS B 201 |
| Chain | Residue |
| B | PHE74 |
| B | PHE75 |
| B | VAL80 |
| B | HOH367 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | Active site: {"description":"Proton donor","evidences":[{"evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 5 |
| Details | M-CSA 644 |
| Chain | Residue | Details |
| A | TYR53 | electrostatic stabiliser |
| A | ASN55 | electrostatic stabiliser |
| A | ARG99 | electrostatic stabiliser, proton acceptor, proton donor, proton relay |
| A | ASP101 | proton acceptor, proton donor |
| A | ASP132 | activator, proton acceptor, proton donor |
| site_id | MCSA2 |
| Number of Residues | 5 |
| Details | M-CSA 644 |
| Chain | Residue | Details |
| B | TYR53 | electrostatic stabiliser |
| B | ASN55 | electrostatic stabiliser |
| B | ARG99 | electrostatic stabiliser, proton acceptor, proton donor, proton relay |
| B | ASP101 | proton acceptor, proton donor |
| B | ASP132 | activator, proton acceptor, proton donor |
| site_id | MCSA3 |
| Number of Residues | 5 |
| Details | M-CSA 644 |
| Chain | Residue | Details |
| C | TYR53 | electrostatic stabiliser |
| C | ASN55 | electrostatic stabiliser |
| C | ARG99 | electrostatic stabiliser, proton acceptor, proton donor, proton relay |
| C | ASP101 | proton acceptor, proton donor |
| C | ASP132 | activator, proton acceptor, proton donor |
| site_id | MCSA4 |
| Number of Residues | 5 |
| Details | M-CSA 644 |
| Chain | Residue | Details |
| D | TYR53 | electrostatic stabiliser |
| D | ASN55 | electrostatic stabiliser |
| D | ARG99 | electrostatic stabiliser, proton acceptor, proton donor, proton relay |
| D | ASP101 | proton acceptor, proton donor |
| D | ASP132 | activator, proton acceptor, proton donor |
| site_id | MCSA5 |
| Number of Residues | 5 |
| Details | M-CSA 644 |
| Chain | Residue | Details |
| E | TYR53 | electrostatic stabiliser |
| E | ASN55 | electrostatic stabiliser |
| E | ARG99 | electrostatic stabiliser, proton acceptor, proton donor, proton relay |
| E | ASP101 | proton acceptor, proton donor |
| E | ASP132 | activator, proton acceptor, proton donor |
| site_id | MCSA6 |
| Number of Residues | 5 |
| Details | M-CSA 644 |
| Chain | Residue | Details |
| F | TYR53 | electrostatic stabiliser |
| F | ASN55 | electrostatic stabiliser |
| F | ARG99 | electrostatic stabiliser, proton acceptor, proton donor, proton relay |
| F | ASP101 | proton acceptor, proton donor |
| F | ASP132 | activator, proton acceptor, proton donor |
| site_id | MCSA7 |
| Number of Residues | 5 |
| Details | M-CSA 644 |
| Chain | Residue | Details |
| G | TYR53 | electrostatic stabiliser |
| G | ASN55 | electrostatic stabiliser |
| G | ARG99 | electrostatic stabiliser, proton acceptor, proton donor, proton relay |
| G | ASP101 | proton acceptor, proton donor |
| G | ASP132 | activator, proton acceptor, proton donor |
| site_id | MCSA8 |
| Number of Residues | 5 |
| Details | M-CSA 644 |
| Chain | Residue | Details |
| H | TYR53 | electrostatic stabiliser |
| H | ASN55 | electrostatic stabiliser |
| H | ARG99 | electrostatic stabiliser, proton acceptor, proton donor, proton relay |
| H | ASP101 | proton acceptor, proton donor |
| H | ASP132 | activator, proton acceptor, proton donor |
