4AX7
Hypocrea jecorina Cel6A D221A mutant soaked with 4-Methylumbelliferyl- beta-D-cellobioside
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 | 0030245 | biological_process | cellulose catabolic process |
| B | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| B | 0005975 | biological_process | carbohydrate metabolic process |
| B | 0030245 | biological_process | cellulose catabolic process |
| C | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| C | 0005975 | biological_process | carbohydrate metabolic process |
| C | 0030245 | biological_process | cellulose catabolic process |
| D | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| D | 0005975 | biological_process | carbohydrate metabolic process |
| D | 0030245 | biological_process | cellulose catabolic process |
Functional Information from PROSITE/UniProt
| site_id | PS00655 |
| Number of Residues | 17 |
| Details | GLYCOSYL_HYDROL_F6_1 Glycosyl hydrolases family 6 signature 1. VvYdlPdRDCAalASnG |
| Chain | Residue | Details |
| A | VAL167-GLY183 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton donor => ECO:0000269|PubMed:12188666 |
| Chain | Residue | Details |
| A | ALA221 | |
| B | ALA221 | |
| C | ALA221 | |
| D | ALA221 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | SITE: Transition state stabilizer that also modulates the pKa of Asp-245 and may act as a proton acceptor through a water chain => ECO:0000269|PubMed:2377893 |
| Chain | Residue | Details |
| A | ASP175 | |
| B | ASP175 | |
| C | ASP175 | |
| D | ASP175 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | CARBOHYD: O-linked (Man...) threonine => ECO:0000269|PubMed:12188666, ECO:0000269|PubMed:8875646 |
| Chain | Residue | Details |
| A | THR87 | |
| D | THR87 | |
| D | THR97 | |
| D | THR122 | |
| A | THR97 | |
| A | THR122 | |
| B | THR87 | |
| B | THR97 | |
| B | THR122 | |
| C | THR87 | |
| C | THR97 | |
| C | THR122 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 16 |
| Details | CARBOHYD: O-linked (Man...) serine => ECO:0000269|PubMed:12188666, ECO:0000269|PubMed:8875646 |
| Chain | Residue | Details |
| A | SER106 | |
| C | SER109 | |
| C | SER110 | |
| C | SER115 | |
| D | SER106 | |
| D | SER109 | |
| D | SER110 | |
| D | SER115 | |
| A | SER109 | |
| A | SER110 | |
| A | SER115 | |
| B | SER106 | |
| B | SER109 | |
| B | SER110 | |
| B | SER115 | |
| C | SER106 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | CARBOHYD: N-linked (GlcNAc) asparagine => ECO:0000269|PubMed:12188666, ECO:0000269|PubMed:8875646 |
| Chain | Residue | Details |
| A | ASN289 | |
| B | ASN289 | |
| C | ASN289 | |
| D | ASN289 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | CARBOHYD: N-linked (GlcNAc...) (high mannose) asparagine => ECO:0000269|PubMed:12188666, ECO:0000269|PubMed:8875646 |
| Chain | Residue | Details |
| A | ASN310 | |
| B | ASN310 | |
| C | ASN310 | |
| D | ASN310 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 6 |
| Details | M-CSA 440 |
| Chain | Residue | Details |
| A | TYR169 | modifies pKa, steric role |
| A | ARG174 | electrostatic stabiliser |
| A | ASP175 | modifies pKa, proton shuttle (general acid/base), transition state stabiliser |
| A | SER181 | electrostatic stabiliser |
| A | ALA221 | proton shuttle (general acid/base) |
| A | ASP401 | electrostatic stabiliser |
| site_id | MCSA2 |
| Number of Residues | 6 |
| Details | M-CSA 440 |
| Chain | Residue | Details |
| B | TYR169 | modifies pKa, steric role |
| B | ARG174 | electrostatic stabiliser |
| B | ASP175 | modifies pKa, proton shuttle (general acid/base), transition state stabiliser |
| B | SER181 | electrostatic stabiliser |
| B | ALA221 | proton shuttle (general acid/base) |
| B | ASP401 | electrostatic stabiliser |
| site_id | MCSA3 |
| Number of Residues | 6 |
| Details | M-CSA 440 |
| Chain | Residue | Details |
| C | TYR169 | modifies pKa, steric role |
| C | ARG174 | electrostatic stabiliser |
| C | ASP175 | modifies pKa, proton shuttle (general acid/base), transition state stabiliser |
| C | SER181 | electrostatic stabiliser |
| C | ALA221 | proton shuttle (general acid/base) |
| C | ASP401 | electrostatic stabiliser |
| site_id | MCSA4 |
| Number of Residues | 6 |
| Details | M-CSA 440 |
| Chain | Residue | Details |
| D | TYR169 | modifies pKa, steric role |
| D | ARG174 | electrostatic stabiliser |
| D | ASP175 | modifies pKa, proton shuttle (general acid/base), transition state stabiliser |
| D | SER181 | electrostatic stabiliser |
| D | ALA221 | proton shuttle (general acid/base) |
| D | ASP401 | electrostatic stabiliser |
