Structure of PDB 4ocp Chain A Binding Site BS03

Receptor Information

>4ocp Chain A (length=355) Species: 216816 (Bifidobacterium longum)

ESNEVLFGIASHFALEGAVTGIEPYGDGHINTTYLVTTDGPRYILQQMNT
SIFPDTVNLMRNVELVTSTLKAQGKETLDIVPTTSGATWAEIDGGAWRVY
KFIEHTVSYNLVPNPDVFREAGSAFGDFQNFLSEFDASQLTETIAHFHDT
PHRFEDFKAALAADKLGRAAACQPEIDFYLSHADQYAVVMDGLRDGSIPL
RVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTA
LEDEKDLSKVHFSTELFRAYTEGFVGELRGSITAREAELLPFSGNLLTME
CGMRFLADYLEGDIYFATKYPEHNLVRTRTQIKLVQEMEQKASETRAIVA
DIMEA

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: 4ocp Chain A Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ocp Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
• Resolution: 1.938 Å
• Binding residue (original residue number in PDB): N213 D228
• Binding residue (residue number reindexed from 1): N211 D226
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.162: N-acetylhexosamine 1-kinase.

Gene Ontology

Molecular Function

• GO:0004413 homoserine kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0016773 phosphotransferase activity, alcohol group as acceptor

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0009088 threonine biosynthetic process
• GO:0016310 phosphorylation

External links

• PDB: RCSB:4ocp, PDBe:4ocp, PDBj:4ocp
• PDBsum: 4ocp
• PubMed: 24816108
• UniProt: E8MF12|NAHK_BIFL2 N-acetylhexosamine 1-kinase (Gene Name=nahK)