4A6A
A115V variant of dCTP deaminase-dUTPase from Mycobacterium tuberculosis in complex with dTTP
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004170 | molecular_function | dUTP diphosphatase activity |
| A | 0006226 | biological_process | dUMP biosynthetic process |
| A | 0006229 | biological_process | dUTP 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 | 0004170 | molecular_function | dUTP diphosphatase activity |
| B | 0006226 | biological_process | dUMP biosynthetic process |
| B | 0006229 | biological_process | dUTP 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 |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0004170 | molecular_function | dUTP diphosphatase activity |
| C | 0006226 | biological_process | dUMP biosynthetic process |
| C | 0006229 | biological_process | dUTP biosynthetic process |
| C | 0008829 | molecular_function | dCTP deaminase activity |
| C | 0009117 | biological_process | nucleotide metabolic process |
| C | 0015949 | biological_process | nucleobase-containing small molecule interconversion |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0033973 | molecular_function | dCTP deaminase (dUMP-forming) activity |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0004170 | molecular_function | dUTP diphosphatase activity |
| D | 0006226 | biological_process | dUMP biosynthetic process |
| D | 0006229 | biological_process | dUTP biosynthetic process |
| D | 0008829 | molecular_function | dCTP deaminase activity |
| D | 0009117 | biological_process | nucleotide metabolic process |
| D | 0015949 | biological_process | nucleobase-containing small molecule interconversion |
| D | 0016787 | molecular_function | hydrolase activity |
| D | 0033973 | molecular_function | dCTP deaminase (dUMP-forming) activity |
| E | 0000166 | molecular_function | nucleotide binding |
| E | 0004170 | molecular_function | dUTP diphosphatase activity |
| E | 0006226 | biological_process | dUMP biosynthetic process |
| E | 0006229 | biological_process | dUTP biosynthetic process |
| E | 0008829 | molecular_function | dCTP deaminase activity |
| E | 0009117 | biological_process | nucleotide metabolic process |
| E | 0015949 | biological_process | nucleobase-containing small molecule interconversion |
| E | 0016787 | molecular_function | hydrolase activity |
| E | 0033973 | molecular_function | dCTP deaminase (dUMP-forming) activity |
| F | 0000166 | molecular_function | nucleotide binding |
| F | 0004170 | molecular_function | dUTP diphosphatase activity |
| F | 0006226 | biological_process | dUMP biosynthetic process |
| F | 0006229 | biological_process | dUTP biosynthetic process |
| F | 0008829 | molecular_function | dCTP deaminase activity |
| F | 0009117 | biological_process | nucleotide metabolic process |
| F | 0015949 | biological_process | nucleobase-containing small molecule interconversion |
| F | 0016787 | molecular_function | hydrolase activity |
| F | 0033973 | molecular_function | dCTP deaminase (dUMP-forming) activity |
| G | 0000166 | molecular_function | nucleotide binding |
| G | 0004170 | molecular_function | dUTP diphosphatase activity |
| G | 0006226 | biological_process | dUMP biosynthetic process |
| G | 0006229 | biological_process | dUTP biosynthetic process |
| G | 0008829 | molecular_function | dCTP deaminase activity |
| G | 0009117 | biological_process | nucleotide metabolic process |
| G | 0015949 | biological_process | nucleobase-containing small molecule interconversion |
| G | 0016787 | molecular_function | hydrolase activity |
| G | 0033973 | molecular_function | dCTP deaminase (dUMP-forming) activity |
| H | 0000166 | molecular_function | nucleotide binding |
| H | 0004170 | molecular_function | dUTP diphosphatase activity |
| H | 0006226 | biological_process | dUMP biosynthetic process |
| H | 0006229 | biological_process | dUTP biosynthetic process |
| H | 0008829 | molecular_function | dCTP deaminase activity |
| H | 0009117 | biological_process | nucleotide metabolic process |
| H | 0015949 | biological_process | nucleobase-containing small molecule interconversion |
| H | 0016787 | molecular_function | hydrolase activity |
| H | 0033973 | molecular_function | dCTP deaminase (dUMP-forming) activity |
| I | 0000166 | molecular_function | nucleotide binding |
| I | 0004170 | molecular_function | dUTP diphosphatase activity |
| I | 0006226 | biological_process | dUMP biosynthetic process |
| I | 0006229 | biological_process | dUTP biosynthetic process |
| I | 0008829 | molecular_function | dCTP deaminase activity |
| I | 0009117 | biological_process | nucleotide metabolic process |
| I | 0015949 | biological_process | nucleobase-containing small molecule interconversion |
| I | 0016787 | molecular_function | hydrolase activity |
| I | 0033973 | molecular_function | dCTP deaminase (dUMP-forming) activity |
| J | 0000166 | molecular_function | nucleotide binding |
| J | 0004170 | molecular_function | dUTP diphosphatase activity |
| J | 0006226 | biological_process | dUMP biosynthetic process |
| J | 0006229 | biological_process | dUTP biosynthetic process |
| J | 0008829 | molecular_function | dCTP deaminase activity |
| J | 0009117 | biological_process | nucleotide metabolic process |
| J | 0015949 | biological_process | nucleobase-containing small molecule interconversion |
| J | 0016787 | molecular_function | hydrolase activity |
| J | 0033973 | molecular_function | dCTP deaminase (dUMP-forming) activity |
| K | 0000166 | molecular_function | nucleotide binding |
| K | 0004170 | molecular_function | dUTP diphosphatase activity |
| K | 0006226 | biological_process | dUMP biosynthetic process |
| K | 0006229 | biological_process | dUTP biosynthetic process |
| K | 0008829 | molecular_function | dCTP deaminase activity |
| K | 0009117 | biological_process | nucleotide metabolic process |
| K | 0015949 | biological_process | nucleobase-containing small molecule interconversion |
| K | 0016787 | molecular_function | hydrolase activity |
| K | 0033973 | molecular_function | dCTP deaminase (dUMP-forming) activity |
| L | 0000166 | molecular_function | nucleotide binding |
| L | 0004170 | molecular_function | dUTP diphosphatase activity |
| L | 0006226 | biological_process | dUMP biosynthetic process |
| L | 0006229 | biological_process | dUTP biosynthetic process |
| L | 0008829 | molecular_function | dCTP deaminase activity |
| L | 0009117 | biological_process | nucleotide metabolic process |
| L | 0015949 | biological_process | nucleobase-containing small molecule interconversion |
| L | 0016787 | molecular_function | hydrolase activity |
| L | 0033973 | molecular_function | dCTP deaminase (dUMP-forming) activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE TTP A 201 |
| Chain | Residue |
| A | VAL115 |
| A | TYR162 |
| A | GLY168 |
| A | LYS170 |
| A | TYR171 |
| A | GLN174 |
| A | MG202 |
| E | LYS101 |
| E | SER102 |
| E | SER103 |
| E | ARG106 |
| A | GLY116 |
| E | GLN148 |
| A | PHE117 |
| A | ILE118 |
| A | ASP119 |
| A | PHE122 |
| A | ILE126 |
| A | THR127 |
| A | GLU129 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG A 202 |
| Chain | Residue |
| A | TTP201 |
| E | GLN28 |
| E | ASP33 |
| E | GLN148 |
| site_id | AC3 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE TTP B 201 |
| Chain | Residue |
| B | VAL115 |
| B | GLY116 |
| B | PHE117 |
| B | ASP119 |
| B | PHE122 |
| B | ILE126 |
| B | THR127 |
| B | GLU129 |
| B | TYR162 |
| B | GLY168 |
| B | LYS170 |
| B | TYR171 |
| B | GLN174 |
| B | MG202 |
| D | LYS101 |
| D | SER102 |
| D | SER103 |
| D | ARG106 |
| D | GLN148 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG B 202 |
| Chain | Residue |
| B | TTP201 |
| D | GLN28 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG B 203 |
| Chain | Residue |
| B | GLU99 |
| B | THR114 |
| D | GLU99 |
| site_id | AC6 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE TTP C 201 |
| Chain | Residue |
| A | GLN28 |
| A | LYS101 |
| A | SER102 |
| A | SER103 |
| A | ARG106 |
| A | GLN148 |
| C | VAL115 |
| C | GLY116 |
| C | PHE117 |
| C | ILE118 |
| C | ASP119 |
| C | PHE122 |
| C | ILE126 |
| C | THR127 |
| C | GLU129 |
| C | TYR162 |
| C | GLY168 |
| C | SER169 |
| C | LYS170 |
| C | TYR171 |
| C | GLN174 |
| C | MG202 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG C 202 |
| Chain | Residue |
| A | GLN28 |
| A | GLN148 |
| A | HOH2001 |
| C | TTP201 |
| site_id | AC8 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE TTP D 201 |
| Chain | Residue |
| D | VAL115 |
| D | GLY116 |
| D | PHE117 |
| D | ASP119 |
| D | ILE126 |
| D | THR127 |
| D | GLU129 |
| D | TYR162 |
| D | LYS170 |
| D | TYR171 |
| D | GLN174 |
| D | MG202 |
| D | HOH2001 |
| F | LYS101 |
| F | SER102 |
| F | SER103 |
| F | ARG106 |
| F | GLN148 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG D 202 |
| Chain | Residue |
| D | TTP201 |
| D | HOH2001 |
| F | GLN28 |
| site_id | BC1 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE TTP E 201 |
| Chain | Residue |
| C | GLN148 |
| E | VAL115 |
| E | PHE117 |
| E | ILE118 |
| E | ASP119 |
| E | PHE122 |
| E | ILE126 |
| E | THR127 |
| E | GLU129 |
| E | TYR162 |
| E | GLY168 |
| E | LYS170 |
| E | TYR171 |
| E | GLN174 |
| E | MG202 |
| C | LYS101 |
| C | SER102 |
| C | SER103 |
| C | ARG106 |
| site_id | BC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG E 202 |
| Chain | Residue |
| C | GLN28 |
| C | GLN148 |
| E | TTP201 |
| site_id | BC3 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE TTP F 201 |
| Chain | Residue |
| B | LYS101 |
| B | SER102 |
| B | SER103 |
| B | ARG106 |
| B | GLN148 |
| F | VAL115 |
| F | GLY116 |
| F | PHE117 |
| F | ILE118 |
| F | ASP119 |
| F | PHE122 |
| F | ILE126 |
| F | THR127 |
| F | GLU129 |
| F | TYR162 |
| F | LYS170 |
| F | TYR171 |
| F | GLN174 |
| F | MG202 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG F 202 |
| Chain | Residue |
| B | GLN28 |
| B | ASP33 |
| F | TTP201 |
| site_id | BC5 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE TTP G 201 |
| Chain | Residue |
| G | VAL115 |
| G | GLY116 |
| G | PHE117 |
| G | ASP119 |
| G | PHE122 |
| G | ILE126 |
| G | THR127 |
| G | GLU129 |
| G | TYR162 |
| G | GLY168 |
| G | LYS170 |
| G | TYR171 |
| G | GLN174 |
| G | MG202 |
| G | HOH2003 |
| K | LYS101 |
| K | SER102 |
| K | SER103 |
| K | ARG106 |
| K | GLN148 |
| site_id | BC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG G 202 |
| Chain | Residue |
| G | TTP201 |
| K | GLN28 |
| K | ASP33 |
| K | GLN148 |
| site_id | BC7 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE TTP H 201 |
| Chain | Residue |
| H | VAL115 |
| H | GLY116 |
| H | PHE117 |
| H | ASP119 |
| H | PHE122 |
| H | ILE126 |
| H | THR127 |
| H | GLU129 |
| H | TYR162 |
| H | LYS170 |
| H | TYR171 |
| H | GLN174 |
| H | MG202 |
| J | LYS101 |
| J | SER102 |
| J | SER103 |
| J | ARG106 |
| J | GLN148 |
| site_id | BC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG H 202 |
| Chain | Residue |
| H | TTP201 |
| J | GLN28 |
| J | GLN148 |
| site_id | BC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG H 203 |
| Chain | Residue |
| H | GLU99 |
| J | GLU99 |
| site_id | CC1 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE TTP I 201 |
| Chain | Residue |
| G | LYS101 |
| G | SER102 |
| G | SER103 |
| G | ARG106 |
| G | GLN148 |
| I | GLY116 |
| I | PHE117 |
| I | ILE118 |
| I | ASP119 |
| I | PHE122 |
| I | ILE126 |
| I | THR127 |
| I | GLU129 |
| I | TYR162 |
| I | GLY168 |
| I | SER169 |
| I | LYS170 |
| I | GLN174 |
| I | MG202 |
| site_id | CC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG I 202 |
| Chain | Residue |
| G | GLN28 |
| I | TTP201 |
| site_id | CC3 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE TTP J 201 |
| Chain | Residue |
| J | VAL115 |
| J | GLY116 |
| J | PHE117 |
| J | ASP119 |
| J | ILE126 |
| J | THR127 |
| J | GLU129 |
| J | TYR162 |
| J | SER169 |
| J | LYS170 |
| J | TYR171 |
| J | GLN174 |
| J | MG202 |
| L | LYS101 |
| L | SER102 |
| L | SER103 |
| L | ARG106 |
| L | GLN148 |
| site_id | CC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG J 202 |
| Chain | Residue |
| J | TTP201 |
| L | GLN28 |
| site_id | CC5 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE TTP K 201 |
| Chain | Residue |
| I | LYS101 |
| I | SER102 |
| I | SER103 |
| I | ARG106 |
| I | GLN148 |
| I | HOH2001 |
| K | VAL115 |
| K | GLY116 |
| K | PHE117 |
| K | ASP119 |
| K | PHE122 |
| K | ILE126 |
| K | THR127 |
| K | GLU129 |
| K | TYR162 |
| K | LYS170 |
| K | TYR171 |
| K | GLN174 |
| K | MG202 |
| site_id | CC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG K 202 |
| Chain | Residue |
| I | GLN28 |
| I | HOH2001 |
| K | TTP201 |
| site_id | CC7 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE TTP L 201 |
| Chain | Residue |
| H | LYS101 |
| H | SER102 |
| H | SER103 |
| H | ARG106 |
| H | GLN148 |
| L | VAL115 |
| L | GLY116 |
| L | PHE117 |
| L | ILE118 |
| L | ASP119 |
| L | ILE126 |
| L | THR127 |
| L | GLU129 |
| L | TYR162 |
| L | GLY168 |
| L | LYS170 |
| L | TYR171 |
| L | GLN174 |
| L | MG202 |
| site_id | CC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG L 202 |
| Chain | Residue |
| H | GLN28 |
| L | TTP201 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 12 |
| Details | ACT_SITE: Proton donor/acceptor => ECO:0000250|UniProtKB:P28248, ECO:0000255|HAMAP-Rule:MF_00146 |
| Chain | Residue | Details |
| A | GLU129 | |
| J | GLU129 | |
| K | GLU129 | |
| L | GLU129 | |
| B | GLU129 | |
| C | GLU129 | |
| D | GLU129 | |
| E | GLU129 | |
| F | GLU129 | |
| G | GLU129 | |
| H | GLU129 | |
| I | GLU129 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 24 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00146, ECO:0000305|Ref.4 |
| Chain | Residue | Details |
| A | LYS101 | |
| E | GLN148 | |
| F | LYS101 | |
| F | GLN148 | |
| G | LYS101 | |
| G | GLN148 | |
| H | LYS101 | |
| H | GLN148 | |
| I | LYS101 | |
| I | GLN148 | |
| J | LYS101 | |
| A | GLN148 | |
| J | GLN148 | |
| K | LYS101 | |
| K | GLN148 | |
| L | LYS101 | |
| L | GLN148 | |
| B | LYS101 | |
| B | GLN148 | |
| C | LYS101 | |
| C | GLN148 | |
| D | LYS101 | |
| D | GLN148 | |
| E | LYS101 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 60 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00146, ECO:0000305|PubMed:18164314, ECO:0000305|Ref.4 |
| Chain | Residue | Details |
| A | ASP119 | |
| B | GLN174 | |
| C | ASP119 | |
| C | THR127 | |
| C | TYR162 | |
| C | LYS170 | |
| C | GLN174 | |
| D | ASP119 | |
| D | THR127 | |
| D | TYR162 | |
| D | LYS170 | |
| A | THR127 | |
| D | GLN174 | |
| E | ASP119 | |
| E | THR127 | |
| E | TYR162 | |
| E | LYS170 | |
| E | GLN174 | |
| F | ASP119 | |
| F | THR127 | |
| F | TYR162 | |
| F | LYS170 | |
| A | TYR162 | |
| F | GLN174 | |
| G | ASP119 | |
| G | THR127 | |
| G | TYR162 | |
| G | LYS170 | |
| G | GLN174 | |
| H | ASP119 | |
| H | THR127 | |
| H | TYR162 | |
| H | LYS170 | |
| A | LYS170 | |
| H | GLN174 | |
| I | ASP119 | |
| I | THR127 | |
| I | TYR162 | |
| I | LYS170 | |
| I | GLN174 | |
| J | ASP119 | |
| J | THR127 | |
| J | TYR162 | |
| J | LYS170 | |
| A | GLN174 | |
| J | GLN174 | |
| K | ASP119 | |
| K | THR127 | |
| K | TYR162 | |
| K | LYS170 | |
| K | GLN174 | |
| L | ASP119 | |
| L | THR127 | |
| L | TYR162 | |
| L | LYS170 | |
| B | ASP119 | |
| L | GLN174 | |
| B | THR127 | |
| B | TYR162 | |
| B | LYS170 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 12 |
| Details | SITE: Important for bifunctional activity => ECO:0000255|HAMAP-Rule:MF_00146, ECO:0000305|PubMed:18164314 |
| Chain | Residue | Details |
| A | GLY116 | |
| J | GLY116 | |
| K | GLY116 | |
| L | GLY116 | |
| B | GLY116 | |
| C | GLY116 | |
| D | GLY116 | |
| E | GLY116 | |
| F | GLY116 | |
| G | GLY116 | |
| H | GLY116 | |
| I | GLY116 |
