5TZO
Computationally Designed Fentanyl Binder - Fen49*-Complex
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| A | 0005975 | biological_process | carbohydrate metabolic process |
| A | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| A | 0031176 | molecular_function | endo-1,4-beta-xylanase activity |
| A | 0045493 | biological_process | xylan catabolic process |
| B | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| B | 0005975 | biological_process | carbohydrate metabolic process |
| B | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| B | 0031176 | molecular_function | endo-1,4-beta-xylanase activity |
| B | 0045493 | biological_process | xylan catabolic process |
| C | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| C | 0005975 | biological_process | carbohydrate metabolic process |
| C | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| C | 0031176 | molecular_function | endo-1,4-beta-xylanase activity |
| C | 0045493 | biological_process | xylan catabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | binding site for residue 7V7 A 201 |
| Chain | Residue |
| A | TRP63 |
| A | TRP90 |
| A | THR91 |
| A | GLN127 |
| A | TRP129 |
| A | HOH429 |
| site_id | AC2 |
| Number of Residues | 13 |
| Details | binding site for residue 7V7 A 202 |
| Chain | Residue |
| A | ALA65 |
| A | PRO116 |
| A | SER117 |
| A | TRP129 |
| A | TYR166 |
| A | ALA172 |
| A | GLY173 |
| A | TYR174 |
| A | CL205 |
| A | HOH430 |
| A | SER35 |
| A | PHE36 |
| A | TRP63 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue K A 203 |
| Chain | Residue |
| A | ASN20 |
| A | GLY21 |
| B | TYR94 |
| B | THR97 |
| B | ASP106 |
| B | GLN133 |
| B | HOH435 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue K A 204 |
| Chain | Residue |
| A | TYR94 |
| A | ASP106 |
| A | HOH449 |
| C | ASN20 |
| C | GLY21 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 205 |
| Chain | Residue |
| A | VAL37 |
| A | TYR80 |
| A | 7V7202 |
| A | HOH378 |
| site_id | AC6 |
| Number of Residues | 12 |
| Details | binding site for residue 7V7 B 201 |
| Chain | Residue |
| B | SER35 |
| B | PHE36 |
| B | TRP63 |
| B | ALA65 |
| B | PRO116 |
| B | SER117 |
| B | TRP129 |
| B | TYR166 |
| B | ALA172 |
| B | 7V7202 |
| B | CL203 |
| B | HOH365 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | binding site for residue 7V7 B 202 |
| Chain | Residue |
| B | TRP63 |
| B | TRP90 |
| B | THR91 |
| B | GLN127 |
| B | TRP129 |
| B | 7V7201 |
| B | HOH328 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue CL B 203 |
| Chain | Residue |
| B | VAL37 |
| B | TYR80 |
| B | 7V7201 |
| B | HOH353 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | binding site for residue K B 204 |
| Chain | Residue |
| B | ASN20 |
| B | GLY21 |
| C | TYR94 |
| C | THR97 |
| C | ASP106 |
| C | GLN133 |
| C | HOH466 |
| site_id | AD1 |
| Number of Residues | 13 |
| Details | binding site for residue 7V7 C 201 |
| Chain | Residue |
| C | SER35 |
| C | PHE36 |
| C | TRP63 |
| C | ALA65 |
| C | PRO116 |
| C | SER117 |
| C | TRP129 |
| C | TYR166 |
| C | ALA172 |
| C | GLY173 |
| C | TYR174 |
| C | 7V7202 |
| C | CL203 |
| site_id | AD2 |
| Number of Residues | 7 |
| Details | binding site for residue 7V7 C 202 |
| Chain | Residue |
| C | TRP63 |
| C | TRP90 |
| C | THR91 |
| C | GLN127 |
| C | TRP129 |
| C | 7V7201 |
| C | HOH433 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue CL C 203 |
| Chain | Residue |
| C | VAL37 |
| C | TYR80 |
| C | 7V7201 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 3 |
| Details | ACT_SITE: Nucleophile => ECO:0000255|PROSITE-ProRule:PRU10062, ECO:0000269|PubMed:7911679 |
| Chain | Residue | Details |
| A | ALA78 | |
| B | ALA78 | |
| C | ALA78 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| Details | ACT_SITE: Proton donor => ECO:0000255|PROSITE-ProRule:PRU10063 |
| Chain | Residue | Details |
| A | ALA172 | |
| B | ALA172 | |
| C | ALA172 |
