6JTT
MHETase in complex with BHET
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | binding site for residue C9C A 701 |
| Chain | Residue |
| A | GLY132 |
| A | SER416 |
| A | PHE424 |
| A | PHE495 |
| A | HIS528 |
| A | SER225 |
| A | GLU226 |
| A | LEU254 |
| A | ALA257 |
| A | GLY258 |
| A | TRP397 |
| A | ARG411 |
| A | PHE415 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue CA A 702 |
| Chain | Residue |
| A | ASP304 |
| A | ASP307 |
| A | LEU309 |
| A | ASP311 |
| A | ILE313 |
| A | HOH801 |
| site_id | AC3 |
| Number of Residues | 15 |
| Details | binding site for residue C8X B 701 |
| Chain | Residue |
| B | GLY132 |
| B | SER225 |
| B | GLU226 |
| B | LEU254 |
| B | ALA257 |
| B | GLY258 |
| B | TRP397 |
| B | ARG411 |
| B | PHE415 |
| B | SER416 |
| B | TRP420 |
| B | PHE424 |
| B | PHE495 |
| B | HIS528 |
| B | HOH910 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue CA B 702 |
| Chain | Residue |
| B | ASP304 |
| B | ASP307 |
| B | LEU309 |
| B | ASP311 |
| B | ILE313 |
| B | HOH801 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue CA C 702 |
| Chain | Residue |
| C | ASP304 |
| C | ASP307 |
| C | LEU309 |
| C | ASP311 |
| C | ILE313 |
| C | HOH809 |
| site_id | AC6 |
| Number of Residues | 23 |
| Details | binding site for Di-peptide C9C C 701 and SER C 225 |
| Chain | Residue |
| C | GLY132 |
| C | CYS224 |
| C | GLU226 |
| C | GLY227 |
| C | GLY228 |
| C | ARG229 |
| C | GLY248 |
| C | ALA249 |
| C | PRO250 |
| C | GLY251 |
| C | LEU254 |
| C | ALA257 |
| C | GLY258 |
| C | TRP397 |
| C | ARG411 |
| C | PHE415 |
| C | SER416 |
| C | TRP420 |
| C | PHE424 |
| C | PHE495 |
| C | HIS528 |
| C | CYS529 |
| C | HOH901 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 3 |
| Details | ACT_SITE: Acyl-ester intermediate => ECO:0000305|PubMed:30979881 |
| Chain | Residue | Details |
| A | SER225 | |
| B | SER225 | |
| C | SER225 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | ACT_SITE: Charge relay system => ECO:0000305|PubMed:30979881 |
| Chain | Residue | Details |
| A | ASP492 | |
| A | HIS528 | |
| B | ASP492 | |
| B | HIS528 | |
| C | ASP492 | |
| C | HIS528 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 15 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:30979881 |
| Chain | Residue | Details |
| A | GLY132 | |
| B | HIS528 | |
| C | GLY132 | |
| C | GLU226 | |
| C | ARG411 | |
| C | SER416 | |
| C | HIS528 | |
| A | GLU226 | |
| A | ARG411 | |
| A | SER416 | |
| A | HIS528 | |
| B | GLY132 | |
| B | GLU226 | |
| B | ARG411 | |
| B | SER416 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 15 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:30979881 |
| Chain | Residue | Details |
| A | ASP304 | |
| B | ILE313 | |
| C | ASP304 | |
| C | ASP307 | |
| C | LEU309 | |
| C | ASP311 | |
| C | ILE313 | |
| A | ASP307 | |
| A | LEU309 | |
| A | ASP311 | |
| A | ILE313 | |
| B | ASP304 | |
| B | ASP307 | |
| B | LEU309 | |
| B | ASP311 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 3 |
| Details | LIPID: S-diacylglycerol cysteine => ECO:0000255|PROSITE-ProRule:PRU00303 |
| Chain | Residue | Details |
| A | CYS18 | |
| B | CYS18 | |
| C | CYS18 |
