4CRG
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A 1489 |
| Chain | Residue |
| A | LEU39 |
| A | HOH2325 |
| A | CYS40 |
| A | HIS57 |
| A | CYS58 |
| A | LYS192 |
| A | GLY193 |
| A | SER195 |
| A | J4X1493 |
| A | HOH2060 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 1490 |
| Chain | Residue |
| A | HIS34 |
| A | ARG37 |
| A | HIS38 |
| A | GLN74 |
| A | HOH2049 |
| A | HOH2116 |
| A | HOH2327 |
| A | HOH2328 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 1491 |
| Chain | Residue |
| A | GLU26 |
| A | TRP27 |
| A | TRP137 |
| A | LYS157 |
| A | LYS202 |
| A | SO41494 |
| A | HOH2024 |
| A | HOH2025 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 1492 |
| Chain | Residue |
| A | GLY25 |
| A | GLU26 |
| A | ARG119 |
| A | SO41494 |
| A | HOH2023 |
| site_id | AC5 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE J4X A 1493 |
| Chain | Residue |
| A | HIS57 |
| A | SER81 |
| A | ASN113 |
| A | TYR114 |
| A | LEU146 |
| A | ASP189 |
| A | ALA190 |
| A | SER195 |
| A | TRP215 |
| A | GLY216 |
| A | GLU217 |
| A | GLY218 |
| A | GLY226 |
| A | GOL1489 |
| A | SO41495 |
| A | HOH2078 |
| A | HOH2264 |
| A | HOH2299 |
| A | HOH2330 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1494 |
| Chain | Residue |
| A | LYS202 |
| A | TRP203 |
| A | GOL1491 |
| A | GOL1492 |
| A | HOH2024 |
| A | HOH2331 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1495 |
| Chain | Residue |
| A | PHE83 |
| A | ASN113 |
| A | GLN118 |
| A | ARG147 |
| A | J4X1493 |
| A | HOH2111 |
| A | HOH2133 |
| A | HOH2192 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1496 |
| Chain | Residue |
| A | LYS127 |
| A | LYS127 |
| A | LYS127 |
| A | ARG130 |
| A | ARG130 |
| A | ARG130 |
| site_id | AC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1497 |
| Chain | Residue |
| A | THR20 |
| A | ALA21 |
| A | GLN48 |
| A | GLN86 |
| A | LYS107 |
| A | HOH2008 |
| A | HOH2239 |
| A | HOH2332 |
| A | HOH2333 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 3 |
| Details | Active site: {"description":"Charge relay system"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) (complex) asparagine","evidences":[{"source":"PubMed","id":"16335952","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19159218","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25092234","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) (complex) asparagine","evidences":[{"source":"PubMed","id":"16335952","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19159218","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"1998667","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25092234","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
