2WC4
Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-thia-(+)-castanospermine
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000272 | biological_process | polysaccharide catabolic process |
| A | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| A | 0005975 | biological_process | carbohydrate metabolic process |
| A | 0008422 | molecular_function | beta-glucosidase activity |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| A | 0030245 | biological_process | cellulose catabolic process |
| B | 0000272 | biological_process | polysaccharide catabolic process |
| B | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| B | 0005975 | biological_process | carbohydrate metabolic process |
| B | 0008422 | molecular_function | beta-glucosidase activity |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| B | 0030245 | biological_process | cellulose catabolic process |
| C | 0000272 | biological_process | polysaccharide catabolic process |
| C | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| C | 0005975 | biological_process | carbohydrate metabolic process |
| C | 0008422 | molecular_function | beta-glucosidase activity |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| C | 0030245 | biological_process | cellulose catabolic process |
| D | 0000272 | biological_process | polysaccharide catabolic process |
| D | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| D | 0005975 | biological_process | carbohydrate metabolic process |
| D | 0008422 | molecular_function | beta-glucosidase activity |
| D | 0016787 | molecular_function | hydrolase activity |
| D | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| D | 0030245 | biological_process | cellulose catabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE AMF A 1446 |
| Chain | Residue |
| A | GLN20 |
| A | GLU405 |
| A | TRP406 |
| A | PHE414 |
| A | HOH2412 |
| A | HOH2413 |
| A | HIS121 |
| A | ASN165 |
| A | GLU166 |
| A | TYR295 |
| A | HIS298 |
| A | TRP324 |
| A | GLU351 |
| A | TRP398 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE AMF B 1446 |
| Chain | Residue |
| B | GLN20 |
| B | HIS121 |
| B | ASN165 |
| B | GLU166 |
| B | TYR295 |
| B | HIS298 |
| B | TRP324 |
| B | GLU351 |
| B | TRP398 |
| B | GLU405 |
| B | TRP406 |
| B | PHE414 |
| B | HOH2151 |
| B | HOH2347 |
| site_id | AC3 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE AMF C 1446 |
| Chain | Residue |
| C | GLN20 |
| C | HIS121 |
| C | ASN165 |
| C | GLU166 |
| C | TYR295 |
| C | HIS298 |
| C | TRP324 |
| C | GLU351 |
| C | TRP398 |
| C | GLU405 |
| C | TRP406 |
| C | PHE414 |
| C | HOH2228 |
| C | HOH2476 |
| site_id | AC4 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE AMF D 1446 |
| Chain | Residue |
| D | GLN20 |
| D | HIS121 |
| D | ASN165 |
| D | GLU166 |
| D | TYR295 |
| D | HIS298 |
| D | TRP324 |
| D | GLU351 |
| D | TRP398 |
| D | GLU405 |
| D | TRP406 |
| D | PHE414 |
| D | HOH2205 |
| D | HOH2408 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT C 1447 |
| Chain | Residue |
| C | ALA54 |
| C | TYR410 |
| C | TYR421 |
| C | HOH2022 |
| C | HOH2477 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO D 1447 |
| Chain | Residue |
| D | LYS336 |
| D | GLU340 |
| D | GLU388 |
| D | HOH2409 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO D 1448 |
| Chain | Residue |
| D | TRP333 |
| D | GLU340 |
| D | HOH2410 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO D 1449 |
| Chain | Residue |
| D | THR90 |
| D | LEU128 |
| D | LYS131 |
| D | TRP142 |
| D | HOH2114 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO D 1450 |
| Chain | Residue |
| D | ASN59 |
| D | HOH2077 |
| D | HOH2411 |
| site_id | BC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 1447 |
| Chain | Residue |
| A | TYR188 |
| A | GLU270 |
| A | HOH2212 |
| A | HOH2414 |
| C | LEU26 |
| C | HIS36 |
| C | HIS40 |
| site_id | BC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO C 1448 |
| Chain | Residue |
| C | ASP373 |
| C | HOH2478 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA C 1449 |
| Chain | Residue |
| C | GLU329 |
| C | HOH2123 |
| C | HOH2272 |
| C | HOH2279 |
| C | HOH2363 |
| C | HOH2365 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CA D 1451 |
| Chain | Residue |
| D | GLU329 |
| D | HOH2243 |
| D | HOH2245 |
Functional Information from PROSITE/UniProt
| site_id | PS00572 |
| Number of Residues | 9 |
| Details | GLYCOSYL_HYDROL_F1_1 Glycosyl hydrolases family 1 active site. VYITENGAA |
| Chain | Residue | Details |
| A | VAL347-ALA355 |
| site_id | PS00653 |
| Number of Residues | 15 |
| Details | GLYCOSYL_HYDROL_F1_2 Glycosyl hydrolases family 1 N-terminal signature. FlWGvAtASYQiEgS |
| Chain | Residue | Details |
| A | PHE10-SER24 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton donor => ECO:0000255 |
| Chain | Residue | Details |
| A | GLU166 | |
| B | GLU166 | |
| C | GLU166 | |
| D | GLU166 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | ACT_SITE: Nucleophile => ECO:0000255|PROSITE-ProRule:PRU10055 |
| Chain | Residue | Details |
| A | GLU351 | |
| B | GLU351 | |
| C | GLU351 | |
| D | GLU351 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1cbg |
| Chain | Residue | Details |
| A | GLU166 | |
| A | ASN293 | |
| A | GLU351 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1cbg |
| Chain | Residue | Details |
| B | GLU166 | |
| B | ASN293 | |
| B | GLU351 |
| site_id | CSA3 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1cbg |
| Chain | Residue | Details |
| C | GLU166 | |
| C | ASN293 | |
| C | GLU351 |
| site_id | CSA4 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1cbg |
| Chain | Residue | Details |
| D | GLU166 | |
| D | ASN293 | |
| D | GLU351 |
| site_id | CSA5 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1cbg |
| Chain | Residue | Details |
| A | GLU166 | |
| A | GLU351 |
| site_id | CSA6 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1cbg |
| Chain | Residue | Details |
| B | GLU166 | |
| B | GLU351 |
| site_id | CSA7 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1cbg |
| Chain | Residue | Details |
| C | GLU166 | |
| C | GLU351 |
| site_id | CSA8 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1cbg |
| Chain | Residue | Details |
| D | GLU166 | |
| D | GLU351 |
