2WF2
Human BACE-1 in complex with 8-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-3,4,7, 8-tetrahydro-1H,6H-(1,2,5)thiadiazepino(5,4,3-de)quinoxaline-10- carboxamide 2,2-dioxide
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004190 | molecular_function | aspartic-type endopeptidase activity |
| A | 0006508 | biological_process | proteolysis |
| A | 0016020 | cellular_component | membrane |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE ZY2 A 2000 |
| Chain | Residue |
| A | GLY72 |
| A | PHE169 |
| A | TRP176 |
| A | ASP289 |
| A | GLY291 |
| A | THR292 |
| A | THR293 |
| A | ASN294 |
| A | ARG296 |
| A | SER386 |
| A | HOH2123 |
| A | LEU91 |
| A | ASP93 |
| A | GLY95 |
| A | SER96 |
| A | PRO131 |
| A | TYR132 |
| A | THR133 |
| A | GLN134 |
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 | ILE90-VAL101 | |
Functional Information from SwissProt/UniProt
| Chain | Residue | Details |
| A | ASP93 | |
| A | ASP289 | |
| Chain | Residue | Details |
| A | LYS126 | |
| A | LYS275 | |
| A | LYS279 | |
| A | LYS285 | |
| A | LYS299 | |
| A | LYS300 | |
| A | LYS307 | |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255 |
| Chain | Residue | Details |
| A | GLN153 | |
| A | GLN172 | |
| A | GLN223 | |
| A | GLN354 | |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1am5 |
| Chain | Residue | Details |
| A | THR292 | |
| A | ASP289 | |
| A | SER96 | |
| A | ASP93 | |
| site_id | CSA2 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1am5 |
| Chain | Residue | Details |
| A | ASP289 | |
| A | SER290 | |
| A | ASP93 | |
| A | THR94 | |
| site_id | CSA3 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1am5 |
| Chain | Residue | Details |
| A | ASP289 | |
| A | SER96 | |
| A | ASP93 | |
| site_id | CSA4 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1am5 |
| Chain | Residue | Details |
| A | ASP289 | |
| A | SER96 | |
| A | ASP93 | |
| A | TYR132 | |
| site_id | CSA5 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1am5 |
| Chain | Residue | Details |
| A | THR292 | |
| A | ASP289 | |
| A | ASP93 | |
| A | THR94 | |
| site_id | CSA6 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1am5 |
| Chain | Residue | Details |
| A | ASP93 | |
| site_id | CSA7 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1am5 |
| Chain | Residue | Details |
| A | ASP289 | |
