4KQJ
Crystal structure of CobT S80Y/Q88M/L175M complexed with p-cresol and NaMN
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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE NCN A 401 |
| Chain | Residue |
| A | ALA78 |
| A | ALA203 |
| A | GLY264 |
| A | PHE265 |
| A | LEU266 |
| A | SER291 |
| A | ARG314 |
| A | LEU315 |
| A | GLY316 |
| A | HOH504 |
| A | HOH510 |
| A | GLU174 |
| A | HOH519 |
| A | HOH556 |
| A | HOH584 |
| A | HOH586 |
| A | HOH637 |
| A | MET175 |
| A | GLY176 |
| A | MET177 |
| A | ALA178 |
| A | ASN179 |
| A | THR180 |
| A | GLY202 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PCR A 402 |
| Chain | Residue |
| A | LYS31 |
| A | PRO32 |
| A | TYR80 |
| A | MET88 |
| A | MET175 |
| A | LEU315 |
| A | GLU317 |
| A | HOH637 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 403 |
| Chain | Residue |
| A | ARG38 |
| A | ARG282 |
| A | PRO287 |
| A | MET305 |
| A | GLU306 |
| A | HOH546 |
| A | HOH578 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"11441022","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 10 |
| 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 | 1 |
| 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 | 1 |
| 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 |
