Structure of PDB 1kzi Chain A Binding Site BS01
Receptor Information
>1kzi Chain A (length=264) Species:
562
(Escherichia coli) [
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MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRC
HLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRA
WPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFF
QFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFV
WTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIE
GYDPHPGIKAPVAI
Ligand information
Ligand ID
CO3
InChI
InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
InChIKey
BVKZGUZCCUSVTD-UHFFFAOYSA-L
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C(=O)([O-])[O-]
ACDLabs 10.04
CACTVS 3.341
[O-]C([O-])=O
Formula
C O3
Name
CARBONATE ION
ChEMBL
DrugBank
DB14531
ZINC
PDB chain
1kzi Chain A Residue 805 [
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Receptor-Ligand Complex Structure
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PDB
1kzi
Tryptophan 80 and leucine 143 are critical for the hydride transfer step of thymidylate synthase by controlling active site access.
Resolution
1.75 Å
Binding residue
(original residue number in PDB)
R225 H255
Binding residue
(residue number reindexed from 1)
R225 H255
Annotation score
1
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.
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
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1kzi
,
PDBe:1kzi
,
PDBj:1kzi
PDBsum
1kzi
PubMed
12033935
UniProt
P0A884
|TYSY_ECOLI Thymidylate synthase (Gene Name=thyA)
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