4YIL
OYE1 W116A COMPLEXED WITH (Z)-METHYL 3-CYANO-3-(4-FLUOROPHENYL)ACRYLATE IN A NON PRODUCTIVE BINDING MODE
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 18 |
| Details | binding site for residue FMN A 401 |
| Chain | Residue |
| A | PRO34 |
| A | GLY324 |
| A | ASN325 |
| A | GLY347 |
| A | ARG348 |
| A | 4D3404 |
| A | HOH630 |
| A | HOH938 |
| A | HOH949 |
| A | HOH951 |
| A | PRO35 |
| A | LEU36 |
| A | THR37 |
| A | GLY72 |
| A | GLN114 |
| A | HIS191 |
| A | ASN194 |
| A | ARG243 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue MG A 402 |
| Chain | Residue |
| A | LEU27 |
| A | HIS29 |
| A | ALA31 |
| A | THR66 |
| A | MET67 |
| site_id | AC3 |
| Number of Residues | 1 |
| Details | binding site for residue NA A 403 |
| Chain | Residue |
| A | TYR375 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | binding site for residue 4D3 A 404 |
| Chain | Residue |
| A | THR37 |
| A | MET39 |
| A | GLY72 |
| A | PHE74 |
| A | TYR82 |
| A | ALA116 |
| A | ASN194 |
| A | TYR196 |
| A | PRO295 |
| A | TYR375 |
| A | FMN401 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton donor => ECO:0000305|PubMed:9830020 |
| Chain | Residue | Details |
| A | TYR196 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11668181, ECO:0000269|PubMed:7881908, ECO:0000269|PubMed:9830019 |
| Chain | Residue | Details |
| A | THR37 | |
| A | GLN114 | |
| A | ARG243 | |
| A | ARG348 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11668181, ECO:0000269|PubMed:7881908 |
| Chain | Residue | Details |
| A | HIS191 | |
| A | ASN194 | |
| A | TYR375 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 5 |
| Details | M-CSA 319 |
| Chain | Residue | Details |
| A | THR37 | electrostatic stabiliser, hydrogen bond donor |
| A | HIS191 | electrostatic stabiliser, hydrogen bond donor |
| A | ASN194 | electrostatic stabiliser, hydrogen bond donor |
| A | TYR196 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | ASN251 | hydrogen bond donor, increase acidity |
