Structure of PDB 4e5u Chain B Binding Site BS03

Receptor Information

>4e5u Chain B (length=206) Species: 208964 (Pseudomonas aeruginosa PAO1)

TGLFVTLEGPEGASTNRDYLAERLRERGIEVQLTREPGGTPLAERIRELL
LAPSDEPMAADTELLLMFAARAQHLAGVIRPALARGAVVLCDRFTDATYA
YQGGGRGLPEARIAALESFVQGDLRPDLTLVFDLPVEIGLARAAARGRLD
RFEQEDRRFFEAVRQTYLQRAAQAPERYQVLDAGLPLAEVQAGLDRLLPN
LLERLN

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: 4e5u Chain B Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4e5u The crystal structure of thymidylate kinase from Pseudomonas aeruginosa PAO1 in complex with thymidine monophosphate.
• Resolution: 1.812 Å
• Binding residue (original residue number in PDB): A146 R149
• Binding residue (residue number reindexed from 1): A143 R146
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.4.9: dTMP kinase.

Gene Ontology

Molecular Function

• 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:4e5u, PDBe:4e5u, PDBj:4e5u
• PDBsum: 4e5u
• UniProt: Q9HZN8|KTHY_PSEAE Thymidylate kinase (Gene Name=tmk)