Structure of PDB 5yol Chain E Binding Site BS01

Receptor Information

>5yol Chain E (length=143) Species: 470 (Acinetobacter baumannii)

MAIERTLSIVKPDAVSKNHIGEIFARFEKAGLKIVATKMKHLSQADAEGF
YAEHKERGFFGDLVAFMTSGPVVVSVLEGENAVLAHREILGATNPKEAAP
GTIRADFAVSIDENAAHGSDSVASAEREIAYFFADNEICPRTR

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 5yol Chain E Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5yol Crystal structure of octameric form of Nucleoside diphosphate kinase from Acinetobacter baumannii at 2.2 A resolution
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): D120 S124
• Binding residue (residue number reindexed from 1): D120 S124
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K11 Y51 N114 H117 E128
• Catalytic site (residue number reindexed from 1): K11 Y51 N114 H117 E128
• Enzyme Commision number: 2.7.4.6: nucleoside-diphosphate kinase.

Gene Ontology

Molecular Function

• GO:0004550 nucleoside diphosphate kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006183 GTP biosynthetic process
• GO:0006228 UTP biosynthetic process
• GO:0006241 CTP biosynthetic process
• GO:0009117 nucleotide metabolic process
• GO:0009142 nucleoside triphosphate biosynthetic process
• GO:0016310 phosphorylation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5yol, PDBe:5yol, PDBj:5yol
• PDBsum: 5yol
• UniProt: V5VIC4