1I2C
CRYSTAL STRUCTURE OF MUTANT T145A SQD1 PROTEIN COMPLEX WITH NAD AND UDP-GLUCOSE
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 403 |
| Chain | Residue |
| A | PHE294 |
| A | GLU296 |
| A | GLN297 |
| A | HIS339 |
| A | HOH695 |
| A | HOH710 |
| A | HOH939 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 404 |
| Chain | Residue |
| A | HOH717 |
| A | HOH945 |
| A | HIS20 |
| A | LYS24 |
| site_id | AC3 |
| Number of Residues | 31 |
| Details | BINDING SITE FOR RESIDUE NAD A 401 |
| Chain | Residue |
| A | GLY8 |
| A | ASP10 |
| A | GLY11 |
| A | TYR12 |
| A | CYS13 |
| A | ASP32 |
| A | ASN33 |
| A | LEU34 |
| A | VAL35 |
| A | ARG36 |
| A | GLY74 |
| A | ASP75 |
| A | ILE76 |
| A | PHE97 |
| A | GLY98 |
| A | GLU99 |
| A | ARG101 |
| A | ASN119 |
| A | LEU143 |
| A | TYR182 |
| A | LYS186 |
| A | GLN209 |
| A | GLY210 |
| A | VAL212 |
| A | UPG402 |
| A | HOH440 |
| A | HOH441 |
| A | HOH442 |
| A | HOH443 |
| A | HOH444 |
| A | HOH620 |
| site_id | AC4 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE UPG A 402 |
| Chain | Residue |
| A | ARG101 |
| A | ALA145 |
| A | MET146 |
| A | GLY147 |
| A | TYR182 |
| A | GLN209 |
| A | VAL211 |
| A | THR238 |
| A | ALA239 |
| A | ARG242 |
| A | THR254 |
| A | TYR256 |
| A | GLN261 |
| A | ARG263 |
| A | VAL300 |
| A | ARG327 |
| A | GLU329 |
| A | NAD401 |
| A | HOH420 |
| A | HOH422 |
| A | HOH460 |
| A | HOH463 |
| A | HOH470 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"FEB-2001","submissionDatabase":"PDB data bank","title":"Characterization of the active site of UDP-sulfoquinovose synthase: formation of the sulfonic acid product in the crystalline state.","authors":["Theisen M.J.","Sanda S.L.","Ginell S.L.","Benning C.","Garavito R.M."]}},{"source":"PDB","id":"1QRR","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"FEB-2001","submissionDatabase":"PDB data bank","title":"Characterization of the active site of UDP-sulfoquinovose synthase: formation of the sulfonic acid product in the crystalline state.","authors":["Theisen M.J.","Sanda S.L.","Ginell S.L.","Benning C.","Garavito R.M."]}},{"source":"PDB","id":"1QRR","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 18 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"10557279","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"FEB-2001","submissionDatabase":"PDB data bank","title":"Characterization of the active site of UDP-sulfoquinovose synthase: formation of the sulfonic acid product in the crystalline state.","authors":["Theisen M.J.","Sanda S.L.","Ginell S.L.","Benning C.","Garavito R.M."]}},{"source":"PDB","id":"1I24","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1I2B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1I2C","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QRR","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"FEB-2001","submissionDatabase":"PDB data bank","title":"Characterization of the active site of UDP-sulfoquinovose synthase: formation of the sulfonic acid product in the crystalline state.","authors":["Theisen M.J.","Sanda S.L.","Ginell S.L.","Benning C.","Garavito R.M."]}},{"source":"PDB","id":"1QRR","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1gz6 |
| Chain | Residue | Details |
| A | ALA145 | |
| A | LYS186 | |
| A | HIS183 | |
| A | TYR182 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1gz6 |
| Chain | Residue | Details |
| A | LYS186 | |
| A | TYR182 |
| site_id | MCSA1 |
| Number of Residues | 5 |
| Details | M-CSA 226 |
| Chain | Residue | Details |
| A | ALA145 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, steric role |
| A | SER180 | hydrogen bond acceptor, steric role |
| A | TYR182 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, steric role |
| A | HIS183 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | LYS186 | electrostatic stabiliser, hydrogen bond donor, increase acidity |
