1XS4
dCTP deaminase from Escherichia coli- E138A mutant enzyme in complex with dCTP
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0005829 | cellular_component | cytosol |
| A | 0006226 | biological_process | dUMP biosynthetic process |
| A | 0006229 | biological_process | dUTP biosynthetic process |
| A | 0006235 | biological_process | dTTP biosynthetic process |
| A | 0008829 | molecular_function | dCTP deaminase activity |
| A | 0009117 | biological_process | nucleotide metabolic process |
| A | 0009314 | biological_process | response to radiation |
| A | 0015949 | biological_process | nucleobase-containing small molecule interconversion |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0032991 | cellular_component | protein-containing complex |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0070207 | biological_process | protein homotrimerization |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0005829 | cellular_component | cytosol |
| B | 0006226 | biological_process | dUMP biosynthetic process |
| B | 0006229 | biological_process | dUTP biosynthetic process |
| B | 0006235 | biological_process | dTTP biosynthetic process |
| B | 0008829 | molecular_function | dCTP deaminase activity |
| B | 0009117 | biological_process | nucleotide metabolic process |
| B | 0009314 | biological_process | response to radiation |
| B | 0015949 | biological_process | nucleobase-containing small molecule interconversion |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0032991 | cellular_component | protein-containing complex |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0070207 | biological_process | protein homotrimerization |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0005829 | cellular_component | cytosol |
| C | 0006226 | biological_process | dUMP biosynthetic process |
| C | 0006229 | biological_process | dUTP biosynthetic process |
| C | 0006235 | biological_process | dTTP biosynthetic process |
| C | 0008829 | molecular_function | dCTP deaminase activity |
| C | 0009117 | biological_process | nucleotide metabolic process |
| C | 0009314 | biological_process | response to radiation |
| C | 0015949 | biological_process | nucleobase-containing small molecule interconversion |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0032991 | cellular_component | protein-containing complex |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0070207 | biological_process | protein homotrimerization |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0005829 | cellular_component | cytosol |
| D | 0006226 | biological_process | dUMP biosynthetic process |
| D | 0006229 | biological_process | dUTP biosynthetic process |
| D | 0006235 | biological_process | dTTP biosynthetic process |
| D | 0008829 | molecular_function | dCTP deaminase activity |
| D | 0009117 | biological_process | nucleotide metabolic process |
| D | 0009314 | biological_process | response to radiation |
| D | 0015949 | biological_process | nucleobase-containing small molecule interconversion |
| D | 0016787 | molecular_function | hydrolase activity |
| D | 0032991 | cellular_component | protein-containing complex |
| D | 0042802 | molecular_function | identical protein binding |
| D | 0070207 | biological_process | protein homotrimerization |
| E | 0000166 | molecular_function | nucleotide binding |
| E | 0005829 | cellular_component | cytosol |
| E | 0006226 | biological_process | dUMP biosynthetic process |
| E | 0006229 | biological_process | dUTP biosynthetic process |
| E | 0006235 | biological_process | dTTP biosynthetic process |
| E | 0008829 | molecular_function | dCTP deaminase activity |
| E | 0009117 | biological_process | nucleotide metabolic process |
| E | 0009314 | biological_process | response to radiation |
| E | 0015949 | biological_process | nucleobase-containing small molecule interconversion |
| E | 0016787 | molecular_function | hydrolase activity |
| E | 0032991 | cellular_component | protein-containing complex |
| E | 0042802 | molecular_function | identical protein binding |
| E | 0070207 | biological_process | protein homotrimerization |
| F | 0000166 | molecular_function | nucleotide binding |
| F | 0005829 | cellular_component | cytosol |
| F | 0006226 | biological_process | dUMP biosynthetic process |
| F | 0006229 | biological_process | dUTP biosynthetic process |
| F | 0006235 | biological_process | dTTP biosynthetic process |
| F | 0008829 | molecular_function | dCTP deaminase activity |
| F | 0009117 | biological_process | nucleotide metabolic process |
| F | 0009314 | biological_process | response to radiation |
| F | 0015949 | biological_process | nucleobase-containing small molecule interconversion |
| F | 0016787 | molecular_function | hydrolase activity |
| F | 0032991 | cellular_component | protein-containing complex |
| F | 0042802 | molecular_function | identical protein binding |
| F | 0070207 | biological_process | protein homotrimerization |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG C 1195 |
| Chain | Residue |
| A | DCP1194 |
| A | HOH2200 |
| A | HOH2223 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG A 2195 |
| Chain | Residue |
| A | HOH2222 |
| B | DCP2194 |
| B | HOH3221 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG B 3195 |
| Chain | Residue |
| B | HOH3219 |
| C | DCP3194 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG F 4195 |
| Chain | Residue |
| D | HOH5208 |
| D | DCP4194 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG D 5195 |
| Chain | Residue |
| E | DCP5194 |
| E | HOH6216 |
| E | HOH6228 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG E 6195 |
| Chain | Residue |
| F | DCP6194 |
| F | HOH6197 |
| F | HOH6212 |
| site_id | AC7 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE DCP A 1194 |
| Chain | Residue |
| A | ALA124 |
| A | ARG126 |
| A | ASP128 |
| A | TRP131 |
| A | ILE135 |
| A | VAL136 |
| A | TYR171 |
| A | ARG174 |
| A | ALA177 |
| A | LYS178 |
| A | TYR179 |
| A | GLN182 |
| A | HOH2200 |
| A | HOH2219 |
| A | HOH2221 |
| A | HOH2223 |
| A | HOH2225 |
| A | HOH2231 |
| C | ARG110 |
| C | SER111 |
| C | SER112 |
| C | ARG115 |
| C | MG1195 |
| site_id | AC8 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE DCP B 2194 |
| Chain | Residue |
| A | ARG110 |
| A | SER111 |
| A | SER112 |
| A | ARG115 |
| A | MG2195 |
| A | HOH2222 |
| A | HOH2232 |
| B | ALA124 |
| B | ARG126 |
| B | ASP128 |
| B | TRP131 |
| B | ILE135 |
| B | VAL136 |
| B | TYR171 |
| B | ARG174 |
| B | ALA177 |
| B | LYS178 |
| B | TYR179 |
| B | GLN182 |
| B | HOH3198 |
| B | HOH3220 |
| B | HOH3221 |
| B | HOH3226 |
| site_id | AC9 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE DCP C 3194 |
| Chain | Residue |
| B | ARG110 |
| B | SER111 |
| B | SER112 |
| B | ARG115 |
| B | MG3195 |
| C | ALA124 |
| C | ARG126 |
| C | ASP128 |
| C | TRP131 |
| C | ILE135 |
| C | VAL136 |
| C | TYR171 |
| C | ARG174 |
| C | ALA177 |
| C | LYS178 |
| C | TYR179 |
| C | GLN182 |
| C | HOH3198 |
| C | HOH3204 |
| C | HOH3220 |
| site_id | BC1 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE DCP D 4194 |
| Chain | Residue |
| F | ARG110 |
| F | SER111 |
| F | SER112 |
| F | ARG115 |
| F | MG4195 |
| F | HOH6228 |
| D | ALA124 |
| D | ARG126 |
| D | ASP128 |
| D | TRP131 |
| D | ILE135 |
| D | VAL136 |
| D | TYR171 |
| D | ARG174 |
| D | ALA177 |
| D | LYS178 |
| D | TYR179 |
| D | GLN182 |
| D | HOH5203 |
| D | HOH5208 |
| D | HOH5217 |
| D | HOH5227 |
| D | HOH5231 |
| site_id | BC2 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE DCP E 5194 |
| Chain | Residue |
| D | ARG110 |
| D | SER111 |
| D | SER112 |
| D | ARG115 |
| D | MG5195 |
| D | HOH5233 |
| E | ALA124 |
| E | ARG126 |
| E | ASP128 |
| E | TRP131 |
| E | ILE135 |
| E | VAL136 |
| E | TYR171 |
| E | ARG174 |
| E | ALA177 |
| E | LYS178 |
| E | TYR179 |
| E | GLN182 |
| E | HOH6216 |
| E | HOH6228 |
| E | HOH6230 |
| E | HOH6245 |
| site_id | BC3 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE DCP F 6194 |
| Chain | Residue |
| E | ARG110 |
| E | SER111 |
| E | SER112 |
| E | ARG115 |
| E | MG6195 |
| F | ALA124 |
| F | ARG126 |
| F | ASP128 |
| F | TRP131 |
| F | ILE135 |
| F | VAL136 |
| F | TYR171 |
| F | ARG174 |
| F | ALA177 |
| F | LYS178 |
| F | TYR179 |
| F | GLN182 |
| F | HOH6195 |
| F | HOH6197 |
| F | HOH6211 |
| F | HOH6212 |
| F | HOH6218 |
| F | HOH6227 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"HAMAP-Rule","id":"MF_00146","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"15539408","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"17996716","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 42 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00146","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"15539408","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"17651436","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"17996716","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 24 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"15539408","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"17651436","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"17996716","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 18 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"15539408","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"17996716","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1dup |
| Chain | Residue | Details |
| A | GLY130 | |
| A | ASP128 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1dup |
| Chain | Residue | Details |
| B | GLY130 | |
| B | ASP128 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1dup |
| Chain | Residue | Details |
| C | GLY130 | |
| C | ASP128 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1dup |
| Chain | Residue | Details |
| D | GLY130 | |
| D | ASP128 |
| site_id | CSA5 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1dup |
| Chain | Residue | Details |
| E | GLY130 | |
| E | ASP128 |
| site_id | CSA6 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1dup |
| Chain | Residue | Details |
| F | GLY130 | |
| F | ASP128 |
| site_id | MCSA1 |
| Number of Residues | 5 |
| Details | M-CSA 732 |
| Chain | Residue | Details |
| A | MSE119 | electrostatic stabiliser |
| A | THR123 | electrostatic stabiliser |
| A | VAL136 | electrostatic stabiliser |
| A | ALA138 | steric role |
| A | ARG150 | proton acceptor, proton donor |
| site_id | MCSA2 |
| Number of Residues | 5 |
| Details | M-CSA 732 |
| Chain | Residue | Details |
| B | MSE119 | electrostatic stabiliser |
| B | THR123 | electrostatic stabiliser |
| B | VAL136 | electrostatic stabiliser |
| B | ALA138 | steric role |
| B | ARG150 | proton acceptor, proton donor |
| site_id | MCSA3 |
| Number of Residues | 5 |
| Details | M-CSA 732 |
| Chain | Residue | Details |
| C | MSE119 | electrostatic stabiliser |
| C | THR123 | electrostatic stabiliser |
| C | VAL136 | electrostatic stabiliser |
| C | ALA138 | steric role |
| C | ARG150 | proton acceptor, proton donor |
| site_id | MCSA4 |
| Number of Residues | 5 |
| Details | M-CSA 732 |
| Chain | Residue | Details |
| D | MSE119 | electrostatic stabiliser |
| D | THR123 | electrostatic stabiliser |
| D | VAL136 | electrostatic stabiliser |
| D | ALA138 | steric role |
| D | ARG150 | proton acceptor, proton donor |
| site_id | MCSA5 |
| Number of Residues | 5 |
| Details | M-CSA 732 |
| Chain | Residue | Details |
| E | MSE119 | electrostatic stabiliser |
| E | THR123 | electrostatic stabiliser |
| E | VAL136 | electrostatic stabiliser |
| E | ALA138 | steric role |
| E | ARG150 | proton acceptor, proton donor |
| site_id | MCSA6 |
| Number of Residues | 5 |
| Details | M-CSA 732 |
| Chain | Residue | Details |
| F | MSE119 | electrostatic stabiliser |
| F | THR123 | electrostatic stabiliser |
| F | VAL136 | electrostatic stabiliser |
| F | ALA138 | steric role |
| F | ARG150 | proton acceptor, proton donor |
