3QJ7
Crystal Structure of the Mycobacterium tuberculosis Thymidylate synthase (ThyA) bound to dUMP
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004799 | molecular_function | thymidylate synthase activity |
A | 0005737 | cellular_component | cytoplasm |
A | 0005829 | cellular_component | cytosol |
A | 0006231 | biological_process | dTMP biosynthetic process |
A | 0006235 | biological_process | dTTP biosynthetic process |
A | 0008168 | molecular_function | methyltransferase activity |
A | 0009165 | biological_process | nucleotide biosynthetic process |
A | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
A | 0032259 | biological_process | methylation |
A | 0046079 | biological_process | dUMP catabolic process |
A | 0046677 | biological_process | response to antibiotic |
B | 0004799 | molecular_function | thymidylate synthase activity |
B | 0005737 | cellular_component | cytoplasm |
B | 0005829 | cellular_component | cytosol |
B | 0006231 | biological_process | dTMP biosynthetic process |
B | 0006235 | biological_process | dTTP biosynthetic process |
B | 0008168 | molecular_function | methyltransferase activity |
B | 0009165 | biological_process | nucleotide biosynthetic process |
B | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
B | 0032259 | biological_process | methylation |
B | 0046079 | biological_process | dUMP catabolic process |
B | 0046677 | biological_process | response to antibiotic |
C | 0004799 | molecular_function | thymidylate synthase activity |
C | 0005737 | cellular_component | cytoplasm |
C | 0005829 | cellular_component | cytosol |
C | 0006231 | biological_process | dTMP biosynthetic process |
C | 0006235 | biological_process | dTTP biosynthetic process |
C | 0008168 | molecular_function | methyltransferase activity |
C | 0009165 | biological_process | nucleotide biosynthetic process |
C | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
C | 0032259 | biological_process | methylation |
C | 0046079 | biological_process | dUMP catabolic process |
C | 0046677 | biological_process | response to antibiotic |
D | 0004799 | molecular_function | thymidylate synthase activity |
D | 0005737 | cellular_component | cytoplasm |
D | 0005829 | cellular_component | cytosol |
D | 0006231 | biological_process | dTMP biosynthetic process |
D | 0006235 | biological_process | dTTP biosynthetic process |
D | 0008168 | molecular_function | methyltransferase activity |
D | 0009165 | biological_process | nucleotide biosynthetic process |
D | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
D | 0032259 | biological_process | methylation |
D | 0046079 | biological_process | dUMP catabolic process |
D | 0046677 | biological_process | response to antibiotic |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 16 |
Details | BINDING SITE FOR RESIDUE UMP A 600 |
Chain | Residue |
A | ARG21 |
A | ASN177 |
A | HIS207 |
A | TYR209 |
A | HOH315 |
A | HOH346 |
C | ARG126 |
C | ARG127 |
A | CYS146 |
A | HIS147 |
A | GLN165 |
A | ARG166 |
A | SER167 |
A | ALA168 |
A | ASP169 |
A | GLY173 |
site_id | AC2 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE SPM A 264 |
Chain | Residue |
A | ARG120 |
A | ALA190 |
A | GLN191 |
A | ALA233 |
A | ASP234 |
A | ARG235 |
A | ASP236 |
A | TYR241 |
A | HOH1632 |
A | HOH1642 |
D | GLY193 |
D | SER195 |
D | HOH808 |
site_id | AC3 |
Number of Residues | 15 |
Details | BINDING SITE FOR RESIDUE UMP B 601 |
Chain | Residue |
B | CYS146 |
B | HIS147 |
B | GLN165 |
B | ARG166 |
B | SER167 |
B | ASP169 |
B | GLY173 |
B | ASN177 |
B | HIS207 |
B | TYR209 |
B | HOH527 |
B | HOH1245 |
B | HOH1657 |
D | ARG126 |
D | ARG127 |
site_id | AC4 |
Number of Residues | 15 |
Details | BINDING SITE FOR RESIDUE UMP C 602 |
Chain | Residue |
A | ARG126 |
A | ARG127 |
C | CYS146 |
C | HIS147 |
C | GLN165 |
C | ARG166 |
C | SER167 |
C | ALA168 |
C | ASP169 |
C | GLY173 |
C | ASN177 |
C | HIS207 |
C | TYR209 |
C | HOH282 |
C | HOH313 |
site_id | AC5 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE UMP D 603 |
Chain | Residue |
B | ARG126 |
B | ARG127 |
D | CYS146 |
D | HIS147 |
D | GLN165 |
D | ARG166 |
D | SER167 |
D | ASP169 |
D | GLY173 |
D | ASN177 |
D | HIS207 |
D | TYR209 |
D | HOH290 |
Functional Information from PROSITE/UniProt
site_id | PS00091 |
Number of Residues | 29 |
Details | THYMIDYLATE_SYNTHASE Thymidylate synthase active site. RriIvsaWNvgeierma.....LpPCHaffQFyV |
Chain | Residue | Details |
A | ARG126-VAL154 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 4 |
Details | ACT_SITE: Nucleophile => ECO:0000255|HAMAP-Rule:MF_00008 |
Chain | Residue | Details |
A | PHE149 | |
B | PHE149 | |
C | PHE149 | |
D | PHE149 |
site_id | SWS_FT_FI2 |
Number of Residues | 16 |
Details | BINDING: in other chain => ECO:0000269|Ref.8, ECO:0007744|PDB:3QJ7, ECO:0007744|PDB:4FOX, ECO:0007744|PDB:4FQS |
Chain | Residue | Details |
A | THR24 | |
C | ASP169 | |
C | SER180 | |
C | ASP210 | |
D | THR24 | |
D | ASP169 | |
D | SER180 | |
D | ASP210 | |
A | ASP169 | |
A | SER180 | |
A | ASP210 | |
B | THR24 | |
B | ASP169 | |
B | SER180 | |
B | ASP210 | |
C | THR24 |
site_id | SWS_FT_FI3 |
Number of Residues | 12 |
Details | BINDING: BINDING => ECO:0000269|Ref.8, ECO:0007744|PDB:4FOG |
Chain | Residue | Details |
A | SER54 | |
D | SER54 | |
D | LEU172 | |
D | ALA262 | |
A | LEU172 | |
A | ALA262 | |
B | SER54 | |
B | LEU172 | |
B | ALA262 | |
C | SER54 | |
C | LEU172 | |
C | ALA262 |
site_id | SWS_FT_FI4 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000269|Ref.8, ECO:0007744|PDB:3QJ7, ECO:0007744|PDB:4FOX, ECO:0007744|PDB:4FQS |
Chain | Residue | Details |
A | ILE129 | |
B | ILE129 | |
C | ILE129 | |
D | ILE129 |