Structure of PDB 3lv8 Chain A Binding Site BS05

Receptor Information

>3lv8 Chain A (length=204) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961)

NAKFIVIEGLEGAGKSTAIQVVVETLQQNGIDHITRTREPGGTLLAEKLR
ALVKEEHPGEELQDITELLLVYAARVQLVENVIKPALARGEWVVGDRHDM
SSQAYQGGGRQIAPSTMQSLKQTALGDFKPDLTLYLDIDPKLGLERELDR
IEKMDISFFERARERYLELANSDDSVVMIDAAQSIEQVTADIRRALQDWL
SQVN

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3lv8 Chain A Residue 219

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3lv8 1.8 Angstrom resolution crystal structure of a thymidylate kinase (tmk) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with TMP, thymidine-5'-diphosphate and ADP
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): A176 D179 D180 V182
• Binding residue (residue number reindexed from 1): A170 D173 D174 V176
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.4.9: dTMP kinase.

Gene Ontology

Molecular Function

• GO:0004712 protein serine/threonine/tyrosine kinase activity
• GO:0004798 thymidylate kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity

Biological Process

• GO:0006227 dUDP biosynthetic process
• GO:0006233 dTDP biosynthetic process
• GO:0006235 dTTP biosynthetic process
• GO:0009165 nucleotide biosynthetic process
• GO:0016310 phosphorylation
• GO:0046940 nucleoside monophosphate phosphorylation

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:3lv8, PDBe:3lv8, PDBj:3lv8
• PDBsum: 3lv8
• UniProt: Q9KQI2|KTHY_VIBCH Thymidylate kinase (Gene Name=tmk)