Structure of PDB 1jg0 Chain A

Receptor sequence
>1jg0A (length=263) Species: 562 (Escherichia coli) [Search protein sequence]
MKQYLELMQKVLDEGTQKNDATGTGTLSIFGHQMRFNLQDGFPLVTTKRC
HLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRA
WPTPDGAHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFF
QFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFV
WTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIE
GYDPHPGIKAPVA
3D structure
PDB1jg0 Predicting and harnessing protein flexibility in the design of species-specific inhibitors of thymidylate synthase.
ChainA
Resolution2.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) E58 W80 Y94 C146 R166 D169 P175
Catalytic site (residue number reindexed from 1) E58 W80 Y94 C146 R166 D169 P175
Enzyme Commision number 2.1.1.45: thymidylate synthase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 UMP A C146 Q165 R166 S167 C168 D169 N177 H207 Y209 C146 Q165 R166 S167 C168 D169 N177 H207 Y209
BS02 DDT A I55 I79 D169 L172 G173 F176 V262 A263 I55 I79 D169 L172 G173 F176 V262 A263 MOAD: ic50=5uM
PDBbind-CN: -logKd/Ki=5.30,IC50=5.0uM
BindingDB: IC50=5.0e+3nM,Ki=1.8e+3nM
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003723 RNA binding
GO:0004799 thymidylate synthase activity
GO:0008168 methyltransferase activity
GO:0016741 transferase activity, transferring one-carbon groups
GO:0042803 protein homodimerization activity
Biological Process
GO:0006231 dTMP biosynthetic process
GO:0006235 dTTP biosynthetic process
GO:0006417 regulation of translation
GO:0009165 nucleotide biosynthetic process
GO:0009314 response to radiation
GO:0032259 methylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1jg0, PDBe:1jg0, PDBj:1jg0
PDBsum1jg0
PubMed11590022
UniProtP0A884|TYSY_ECOLI Thymidylate synthase (Gene Name=thyA)

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