4KQK
Crystal structure of CobT S80Y/Q88M/L175M complexed with p-cresol
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0008939 | molecular_function | nicotinate-nucleotide-dimethylbenzimidazole phosphoribosyltransferase activity |
| A | 0009236 | biological_process | cobalamin biosynthetic process |
| A | 0016740 | molecular_function | transferase activity |
| A | 0016757 | molecular_function | glycosyltransferase activity |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0008939 | molecular_function | nicotinate-nucleotide-dimethylbenzimidazole phosphoribosyltransferase activity |
| B | 0009236 | biological_process | cobalamin biosynthetic process |
| B | 0016740 | molecular_function | transferase activity |
| B | 0016757 | molecular_function | glycosyltransferase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 401 |
| Chain | Residue |
| A | ARG38 |
| A | ARG282 |
| A | MET305 |
| A | GLU306 |
| A | HOH518 |
| A | HOH531 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SO4 A 402 |
| Chain | Residue |
| A | GLY202 |
| A | ALA203 |
| A | HOH504 |
| A | HOH535 |
| A | HOH579 |
| A | HOH607 |
| A | HOH621 |
| A | ALA178 |
| A | ASN179 |
| A | THR180 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PCR A 403 |
| Chain | Residue |
| A | TYR80 |
| A | HOH668 |
| B | PRO32 |
| B | LEU341 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 404 |
| Chain | Residue |
| A | GLN23 |
| A | ASP27 |
| A | GLU40 |
| A | HOH533 |
| A | HOH628 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 405 |
| Chain | Residue |
| A | ALA13 |
| A | ASP15 |
| A | PRO50 |
| A | HOH582 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 406 |
| Chain | Residue |
| A | LEU323 |
| A | PRO326 |
| A | ILE327 |
| B | LEU323 |
| B | PRO326 |
| site_id | AC7 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE SO4 B 701 |
| Chain | Residue |
| B | ALA178 |
| B | ASN179 |
| B | THR180 |
| B | GLY202 |
| B | ALA203 |
| B | HOH824 |
| B | HOH825 |
| B | HOH920 |
| B | HOH942 |
| B | HOH944 |
| B | HOH945 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 B 702 |
| Chain | Residue |
| B | ARG38 |
| B | ARG282 |
| B | PRO287 |
| B | SER304 |
| B | MET305 |
| B | GLU306 |
| B | HOH810 |
| B | HOH906 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PCR B 703 |
| Chain | Residue |
| A | LYS31 |
| A | LEU341 |
| B | HOH991 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"11441022","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 20 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"24121107","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"journal article","publicationDate":"2002","firstPage":"41120","lastPage":"41127","volume":"277","journal":"J. Biol. Chem.","title":"Capture of a labile substrate by expulsion of water molecules from the active site of nicotinate mononucleotide:5,6-dimethylbenzimidazole phosphoribosyltransferase (CobT) from Salmonella enterica.","authors":["Cheong C.G.","Escalante-Semerena J.C.","Rayment I."],"citationCrossReferences":[{"database":"DOI","id":"10.1074/jbc.M203535200"}]}}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Site: {"description":"Important for substrate positioning, might be proton acceptor","evidences":[{"source":"PubMed","id":"24121107","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Site: {"description":"Important for substrate positioning, might be proton acceptor","evidences":[{"source":"PubMed","id":"24121107","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10587435","evidenceCode":"ECO:0000305"},{"source":"Reference","evidenceCode":"ECO:0000305","citation":{"citationType":"journal article","publicationDate":"2002","firstPage":"41120","lastPage":"41127","volume":"277","journal":"J. Biol. Chem.","title":"Capture of a labile substrate by expulsion of water molecules from the active site of nicotinate mononucleotide:5,6-dimethylbenzimidazole phosphoribosyltransferase (CobT) from Salmonella enterica.","authors":["Cheong C.G.","Escalante-Semerena J.C.","Rayment I."],"citationCrossReferences":[{"database":"DOI","id":"10.1074/jbc.M203535200"}]}}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 2 |
| Details | M-CSA 79 |
| Chain | Residue | Details |
| A | GLU174 | electrostatic stabiliser, unknown |
| A | GLU317 | activator, hydrogen bond acceptor, proton acceptor, unknown |
| site_id | MCSA2 |
| Number of Residues | 2 |
| Details | M-CSA 79 |
| Chain | Residue | Details |
| B | GLU174 | electrostatic stabiliser, unknown |
| B | GLU317 | activator, hydrogen bond acceptor, proton acceptor, unknown |
