Structure of PDB 5chp Chain A

Receptor sequence
>5chpA (length=217) Species: 2336 (Thermotoga maritima) [Search protein sequence]
MKIDILDKGFVELVDVMGNDLSAVRAARVSFDMGLKDEERDRHLIEYLMK
HGHETPFEHIVFTFHVKAPIFVARQWFRHRIASYNELSGRYSKLSYEFYI
PSPERLEGYKTTIPPERVTEKISEIVDKAYRTYLELIESGVPREVARIVL
PLNLYTRFFWTVNARSLMNFLNLRADSHAQWEIQQYALAIARIFKEKCPW
TFEAFLKYAYKGDILKE
3D structure
PDB5chp Identification of inhibitors targeting substrate-binding site in Mycobacterium tuberculosis FAD-dependent Thymidylate synthase (ThyX) through Virtual Screening: A New study de-fining the binding mechanism of Inhibitors
ChainA
Resolution1.7 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.1.1.148: thymidylate synthase (FAD).
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 FAD A R78 H79 R80 I81 N169 L173 R78 H79 R80 I81 N169 L173
BS02 51Q A Q75 R174 Q75 R174
Gene Ontology
Molecular Function
GO:0004799 thymidylate synthase activity
GO:0008168 methyltransferase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0050797 thymidylate synthase (FAD) activity
GO:0070402 NADPH binding
Biological Process
GO:0006231 dTMP biosynthetic process
GO:0006235 dTTP biosynthetic process
GO:0009165 nucleotide biosynthetic process
GO:0032259 methylation

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Molecular Function

View graph for
Biological Process
External links
PDB RCSB:5chp, PDBe:5chp, PDBj:5chp
PDBsum5chp
PubMed
UniProtQ9WYT0|THYX_THEMA Flavin-dependent thymidylate synthase (Gene Name=thyX)

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