2C8A
Structure of the wild-type C3bot1 Exoenzyme (Nicotinamide-bound state, crystal form I)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005576 | cellular_component | extracellular region |
| A | 0016740 | molecular_function | transferase activity |
| A | 0016757 | molecular_function | glycosyltransferase activity |
| A | 0016763 | molecular_function | pentosyltransferase activity |
| A | 0016779 | molecular_function | nucleotidyltransferase activity |
| A | 1990404 | molecular_function | NAD+-protein mono-ADP-ribosyltransferase activity |
| B | 0005576 | cellular_component | extracellular region |
| B | 0016740 | molecular_function | transferase activity |
| B | 0016757 | molecular_function | glycosyltransferase activity |
| B | 0016763 | molecular_function | pentosyltransferase activity |
| B | 0016779 | molecular_function | nucleotidyltransferase activity |
| B | 1990404 | molecular_function | NAD+-protein mono-ADP-ribosyltransferase activity |
| C | 0005576 | cellular_component | extracellular region |
| C | 0016740 | molecular_function | transferase activity |
| C | 0016757 | molecular_function | glycosyltransferase activity |
| C | 0016763 | molecular_function | pentosyltransferase activity |
| C | 0016779 | molecular_function | nucleotidyltransferase activity |
| C | 1990404 | molecular_function | NAD+-protein mono-ADP-ribosyltransferase activity |
| D | 0005576 | cellular_component | extracellular region |
| D | 0016740 | molecular_function | transferase activity |
| D | 0016757 | molecular_function | glycosyltransferase activity |
| D | 0016763 | molecular_function | pentosyltransferase activity |
| D | 0016779 | molecular_function | nucleotidyltransferase activity |
| D | 1990404 | molecular_function | NAD+-protein mono-ADP-ribosyltransferase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1253 |
| Chain | Residue |
| A | ARG128 |
| A | PHE183 |
| A | ARG186 |
| A | NCA1252 |
| A | HOH2217 |
| A | HOH2218 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1247 |
| Chain | Residue |
| B | HOH2124 |
| B | HOH2187 |
| B | ARG128 |
| B | ARG186 |
| B | NCA1246 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 C 1253 |
| Chain | Residue |
| C | SER84 |
| C | ARG128 |
| C | ARG186 |
| C | NCA1252 |
| C | HOH2204 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 D 1248 |
| Chain | Residue |
| D | ARG128 |
| D | ARG186 |
| D | NCA1247 |
| D | HOH2173 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE NCA A 1252 |
| Chain | Residue |
| A | ARG128 |
| A | GLY129 |
| A | THR175 |
| A | SER176 |
| A | PHE183 |
| A | ARG186 |
| A | GLN212 |
| A | SO41253 |
| A | HOH2216 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE NCA B 1246 |
| Chain | Residue |
| B | ARG128 |
| B | GLY129 |
| B | THR175 |
| B | SER176 |
| B | PHE183 |
| B | ARG186 |
| B | GLU214 |
| B | SO41247 |
| B | HOH2125 |
| B | HOH2186 |
| site_id | AC7 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE NCA C 1252 |
| Chain | Residue |
| C | ARG128 |
| C | GLY129 |
| C | SER174 |
| C | THR175 |
| C | SER176 |
| C | PHE183 |
| C | ARG186 |
| C | GLU214 |
| C | SO41253 |
| C | HOH2136 |
| C | HOH2203 |
| site_id | AC8 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE NCA D 1247 |
| Chain | Residue |
| D | ARG128 |
| D | GLY129 |
| D | SER174 |
| D | THR175 |
| D | SER176 |
| D | PHE183 |
| D | ARG186 |
| D | GLU214 |
| D | SO41248 |
| D | HOH2119 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 597 |
| Details | Domain: {"description":"TR mART core","evidences":[{"source":"PROSITE-ProRule","id":"PRU01340","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01340","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 52 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"12029083","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16177825","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | Site: {"description":"Transition state stabilizer"} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1g24 |
| Chain | Residue | Details |
| A | GLU214 |
| site_id | CSA2 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1g24 |
| Chain | Residue | Details |
| B | GLU214 |
| site_id | CSA3 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1g24 |
| Chain | Residue | Details |
| C | GLU214 |
| site_id | CSA4 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1g24 |
| Chain | Residue | Details |
| D | GLU214 |
| site_id | MCSA1 |
| Number of Residues | 2 |
| Details | M-CSA 824 |
| Chain | Residue | Details |
| A | SER174 | electrostatic stabiliser, polar interaction |
| A | GLU214 | electrostatic stabiliser, polar interaction, proton acceptor, proton donor |
| site_id | MCSA2 |
| Number of Residues | 2 |
| Details | M-CSA 824 |
| Chain | Residue | Details |
| B | SER174 | electrostatic stabiliser, polar interaction |
| B | GLU214 | electrostatic stabiliser, polar interaction, proton acceptor, proton donor |
| site_id | MCSA3 |
| Number of Residues | 2 |
| Details | M-CSA 824 |
| Chain | Residue | Details |
| C | SER174 | electrostatic stabiliser, polar interaction |
| C | GLU214 | electrostatic stabiliser, polar interaction, proton acceptor, proton donor |
| site_id | MCSA4 |
| Number of Residues | 2 |
| Details | M-CSA 824 |
| Chain | Residue | Details |
| D | SER174 | electrostatic stabiliser, polar interaction |
| D | GLU214 | electrostatic stabiliser, polar interaction, proton acceptor, proton donor |
