4FGX
Crystal structure of bace1 with novel inhibitor
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 A 501 |
| Chain | Residue |
| A | ARG109 |
| A | HOH703 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 502 |
| Chain | Residue |
| A | SER70 |
| A | PRO71 |
| A | SER106 |
| A | HIS193 |
| A | PRO195 |
| A | HOH637 |
| A | HOH1016 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 503 |
| Chain | Residue |
| A | TYR99 |
| A | GLN101 |
| A | GLN103 |
| A | LYS266 |
| A | HOH745 |
| A | HOH839 |
| A | HOH1023 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE URE A 504 |
| Chain | Residue |
| A | ARG355 |
| A | HOH766 |
| A | HOH951 |
| B | 2OP1 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PEG A 505 |
| Chain | Residue |
| A | PRO118 |
| A | TYR119 |
| A | THR120 |
| A | ARG397 |
| A | ARG399 |
| A | HOH973 |
| A | HOH1037 |
| A | HOH1041 |
| B | ALA6 |
| site_id | AC6 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR CHAIN B OF INHIBITOR (2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-AMINO-3-OXOPROPYL)-2,13-DIBENZYL-12,22-DIHYDROXY-8-ISOBUTYL-19-ISOPROPYL-3,5,17-TRIMETHYL-4,7,10,15,18,21-HEXAOXO-3,6,9,14,17,20-HEXAAZATRICOSAN-1-OIC ACID |
| Chain | Residue |
| A | GLY59 |
| A | ASP80 |
| A | GLY82 |
| A | VAL117 |
| A | PRO118 |
| A | TYR119 |
| A | THR120 |
| A | PHE156 |
| A | ILE158 |
| A | ILE174 |
| A | ARG176 |
| A | TYR246 |
| A | LYS272 |
| A | ASP276 |
| A | GLY278 |
| A | THR279 |
| A | THR280 |
| A | ARG283 |
| A | THR377 |
| A | URE504 |
| A | PEG505 |
| A | HOH721 |
| A | HOH975 |
| A | HOH1037 |
| B | HOH101 |
| B | HOH102 |
| B | HOH103 |
| B | HOH104 |
| B | HOH105 |
| B | HOH107 |
Functional Information from PROSITE/UniProt
| site_id | PS00141 |
| Number of Residues | 12 |
| Details | ASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ILVDTGSSNFAV |
| Chain | Residue | Details |
| A | ILE77-VAL88 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10094","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 7 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"17425515","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19011241","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 3 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
