1PKK
Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| 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 | 0015949 | biological_process | nucleobase-containing small molecule interconversion |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0033973 | molecular_function | dCTP deaminase (dUMP-forming) activity |
| B | 0000166 | molecular_function | nucleotide binding |
| 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 | 0015949 | biological_process | nucleobase-containing small molecule interconversion |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0033973 | molecular_function | dCTP deaminase (dUMP-forming) activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE DCP B 293 |
| Chain | Residue |
| B | ARG117 |
| B | HOH557 |
| B | SER118 |
| B | SER119 |
| B | ARG122 |
| B | HIS128 |
| B | PHE138 |
| B | THR143 |
| B | GLU145 |
| B | HOH455 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 294 |
| Chain | Residue |
| A | ASP25 |
| A | VAL27 |
| A | GLY28 |
| A | ASP33 |
| A | ARG160 |
| B | ASN87 |
| B | HOH571 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO B 295 |
| Chain | Residue |
| B | GLU39 |
| B | LEU97 |
| B | GLY98 |
| B | THR99 |
| B | HOH344 |
| B | HOH442 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 296 |
| Chain | Residue |
| A | ASP174 |
| A | TYR177 |
| A | SER178 |
| A | HOH508 |
| B | LYS60 |
| B | ILE61 |
| B | LYS62 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 297 |
| Chain | Residue |
| B | ARG16 |
| B | GLU105 |
| B | LEU106 |
| B | HOH376 |
| B | HOH524 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO A 298 |
| Chain | Residue |
| A | ASN23 |
| A | HOH471 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 299 |
| Chain | Residue |
| B | ASP38 |
| B | ASN101 |
| B | ASN158 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO B 300 |
| Chain | Residue |
| B | THR35 |
| B | HOH515 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"UniProtKB","id":"P28248","evidenceCode":"ECO:0000250"},{"source":"HAMAP-Rule","id":"MF_00146","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00146","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"12909016","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000305","citation":{"citationType":"submission","publicationDate":"AUG-2006","submissionDatabase":"PDB data bank","title":"Structural evidence for a concerted bifunctionality in dCTP deaminase-dUTPase from Methanocaldococcus jannaschii.","authors":["Bynck J.H.","Willemoes M.","Larsen S.","Johansson E."]}}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00146","evidenceCode":"ECO:0000255"},{"source":"Reference","evidenceCode":"ECO:0000305","citation":{"citationType":"submission","publicationDate":"AUG-2006","submissionDatabase":"PDB data bank","title":"Structural evidence for a concerted bifunctionality in dCTP deaminase-dUTPase from Methanocaldococcus jannaschii.","authors":["Bynck J.H.","Willemoes M.","Larsen S.","Johansson E."]}}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00146","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12909016","evidenceCode":"ECO:0000305"},{"source":"Reference","evidenceCode":"ECO:0000305","citation":{"citationType":"submission","publicationDate":"AUG-2006","submissionDatabase":"PDB data bank","title":"Structural evidence for a concerted bifunctionality in dCTP deaminase-dUTPase from Methanocaldococcus jannaschii.","authors":["Bynck J.H.","Willemoes M.","Larsen S.","Johansson E."]}}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | Site: {"description":"Important for bifunctional activity","evidences":[{"source":"HAMAP-Rule","id":"MF_00146","evidenceCode":"ECO:0000255"}]} |
| 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 | ASP135 | |
| A | GLY137 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1dup |
| Chain | Residue | Details |
| B | ASP135 | |
| B | GLY137 |
