4CRA
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 | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 1489 |
| Chain | Residue |
| A | ALA115 |
| A | SER117 |
| A | SER214 |
| A | TRP215 |
| A | XJ81491 |
| A | HOH2118 |
| A | HOH2192 |
| A | HOH2210 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 1490 |
| Chain | Residue |
| A | ARG24 |
| A | GLY25 |
| A | TRP27 |
| A | ILE71 |
| A | SER117 |
| A | LEU155 |
| A | VAL23 |
| site_id | AC3 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE XJ8 A 1491 |
| Chain | Residue |
| A | HIS38 |
| A | LEU39 |
| A | HIS57 |
| A | TYR114 |
| A | TYR143 |
| A | ILE151 |
| A | ASP189 |
| A | ALA190 |
| A | LYS192 |
| A | GLY193 |
| A | SER195 |
| A | TRP215 |
| A | GLY216 |
| A | GLY218 |
| A | CYS219 |
| A | GLY226 |
| A | GOL1489 |
| A | HOH2039 |
| A | HOH2041 |
| A | HOH2056 |
| A | HOH2212 |
| A | HOH2213 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1492 |
| Chain | Residue |
| A | THR20 |
| A | ALA21 |
| A | GLN48 |
| A | GLN86 |
| A | HOH2006 |
| A | HOH2214 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1493 |
| Chain | Residue |
| A | LYS127 |
| A | LYS127 |
| A | LYS127 |
| A | ARG130 |
| A | ARG130 |
| A | ARG130 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1494 |
| Chain | Residue |
| A | LYS202 |
| A | TRP203 |
| A | HOH2015 |
| A | HOH2121 |
| A | HOH2215 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 235 |
| Details | Domain: {"description":"Peptidase S1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00274","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| Details | Active site: {"description":"Charge relay system"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 3 |
| Details | Binding site: {} |
| 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":"25092234","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| 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 |
