2C8H
Structure of the PN loop Q182A mutant C3bot1 Exoenzyme (NAD-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 | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A1249 |
| Chain | Residue |
| A | LYS56 |
| A | ASP204 |
| A | ALA210 |
| A | GLY211 |
| A | HOH2189 |
| A | HOH2192 |
| A | HOH2230 |
| C | LYS251 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A1250 |
| Chain | Residue |
| A | ARG186 |
| C | HIS220 |
| A | ASP131 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 B1251 |
| Chain | Residue |
| B | ASN51 |
| B | ILE52 |
| B | ARG229 |
| B | SER231 |
| B | SER232 |
| B | HOH2146 |
| B | HOH2147 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 C1252 |
| Chain | Residue |
| C | SER84 |
| C | ARG128 |
| C | ARG186 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 D1248 |
| Chain | Residue |
| D | ARG128 |
| D | SER174 |
| D | ARG186 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 D1249 |
| Chain | Residue |
| D | ARG91 |
| D | ARG167 |
| D | GLU169 |
| D | HOH2119 |
| D | HOH2179 |
| D | HOH2180 |
| site_id | AC7 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NAD A1248 |
| Chain | Residue |
| A | THR80 |
| A | SER84 |
| A | ASN87 |
| A | ARG91 |
| A | ARG128 |
| A | GLY129 |
| A | ASP130 |
| A | ASP131 |
| A | ALA133 |
| A | ARG167 |
| A | GLU169 |
| A | SER174 |
| A | THR175 |
| A | SER176 |
| A | PHE183 |
| A | ARG186 |
| A | GLN212 |
| A | GLU214 |
| A | HOH2173 |
| A | HOH2174 |
| A | HOH2196 |
| A | HOH2225 |
| A | HOH2226 |
| A | HOH2227 |
| A | HOH2229 |
| site_id | AC8 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE NAD B1250 |
| Chain | Residue |
| B | THR80 |
| B | SER84 |
| B | ASN87 |
| B | ARG91 |
| B | ARG128 |
| B | GLY129 |
| B | ASP130 |
| B | ASP131 |
| B | ALA133 |
| B | ARG167 |
| B | GLU169 |
| B | SER174 |
| B | THR175 |
| B | PHE183 |
| B | ARG186 |
| B | PHE209 |
| B | GLY211 |
| B | GLU214 |
| B | HOH2022 |
| B | HOH2105 |
| B | HOH2142 |
| B | HOH2143 |
| B | HOH2144 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 796 |
| 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 | 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 |
| 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 |
