4AU0
Hypocrea jecorina Cel6A D221A mutant soaked with 6-chloro-4- methylumbelliferyl-beta-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 |
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 | 2 |
| Details | Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"12188666","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Site: {"description":"Transition state stabilizer that also modulates the pKa of Asp-245 and may act as a proton acceptor through a water chain","evidences":[{"source":"PubMed","id":"2377893","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | Glycosylation: {"description":"O-linked (Man...) threonine","evidences":[{"source":"PubMed","id":"12188666","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8875646","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | Glycosylation: {"description":"O-linked (Man...) serine","evidences":[{"source":"PubMed","id":"12188666","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8875646","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc) asparagine","evidences":[{"source":"PubMed","id":"12188666","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8875646","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) (high mannose) asparagine","evidences":[{"source":"PubMed","id":"12188666","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8875646","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
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 |
