Structure of PDB 1kzi Chain A

Receptor sequence

>1kziA (length=264) Species: 562 (Escherichia coli)

MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRC
HLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRA
WPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFF
QFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFV
WTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIE
GYDPHPGIKAPVAI

3D structure

• PDB: 1kzi Tryptophan 80 and leucine 143 are critical for the hydride transfer step of thymidylate synthase by controlling active site access.
• Chain: A
• Resolution: 1.75 Å

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	CO3	A	R225 H255	R225 H255
BS02	UMP	A	R21 C146 H147 Q165 R166 S167 C168 D169 N177 H207 Y209	R21 C146 H147 Q165 R166 S167 C168 D169 N177 H207 Y209
BS03	THG	A	I79 W80 W83 L143 D169 G173 F176 V262 A263	I79 W80 W83 L143 D169 G173 F176 V262 A263
BS04	UMP	A	R126 R127	R126 R127

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

External links

• PDB: RCSB:1kzi, PDBe:1kzi, PDBj:1kzi
• PDBsum: 1kzi
• PubMed: 12033935
• UniProt: P0A884|TYSY_ECOLI Thymidylate synthase (Gene Name=thyA)