5OA6
Crystal structure of ScGas2 in complex with compound 12
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 25 |
| Details | binding site for residue 9PT A 601 |
| Chain | Residue |
| A | GLN62 |
| A | ASN175 |
| A | VAL177 |
| A | TYR244 |
| A | GLU275 |
| A | TYR307 |
| A | TYR316 |
| A | HOH713 |
| A | HOH714 |
| A | HOH767 |
| A | HOH794 |
| A | TYR107 |
| A | HOH805 |
| A | HOH841 |
| A | HOH856 |
| A | HOH859 |
| A | HOH867 |
| A | HOH991 |
| A | SER134 |
| A | GLU135 |
| A | PRO136 |
| A | SER139 |
| A | ILE140 |
| A | ASN141 |
| A | ARG142 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 602 |
| Chain | Residue |
| A | SER164 |
| A | HIS206 |
| A | HOH769 |
| A | HOH826 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 603 |
| Chain | Residue |
| A | SER114 |
| A | HIS115 |
| A | ASP116 |
| A | PHE165 |
| A | HOH795 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 604 |
| Chain | Residue |
| A | ARG227 |
| A | GLU366 |
| A | HIS369 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 605 |
| Chain | Residue |
| A | MET220 |
| A | VAL374 |
| A | SER425 |
| A | ASP426 |
| A | GLY437 |
| A | GLU438 |
| A | HOH701 |
| A | HOH707 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 606 |
| Chain | Residue |
| A | ASP463 |
| A | HIS465 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton donor |
| Chain | Residue | Details |
| A | GLU176 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | ACT_SITE: Nucleophile |
| Chain | Residue | Details |
| A | GLU275 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 7 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:19097997 |
| Chain | Residue | Details |
| A | SER134 | |
| A | ASN175 | |
| A | GLU176 | |
| A | ASP217 | |
| A | ARG222 | |
| A | TYR307 | |
| A | TYR107 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | LIPID: GPI-anchor amidated aspartate => ECO:0000255 |
| Chain | Residue | Details |
| A | ASP531 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255 |
| Chain | Residue | Details |
| A | ASN498 |
