Structure of PDB 1cbk Chain A Binding Site BS01

Receptor Information

>1cbk Chain A (length=160) Species: 727 (Haemophilus influenzae)

MITAYIALGSNLNTPVEQLHAALKAISQLSNTHLVTTSSFYKSKPLGPQD
QPDYVNAVAKIETELSPLKLLDELQRIENEQGRVRLRRWGERTLDLDILL
YGNEIIQNERLTIPHYDMHNREFVIVPLFEIASDLVLPNSQIITELVKQF
ADHKMIKLNP

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-]S(=O)(=O)[O-]
  CACTVS 3.341: [O-][S]([O-])(=O)=O
  ACDLabs 10.04: [O-]S([O-])(=O)=O
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 1cbk Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1cbk The structure and function of the 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase from Haemophilus influenzae.
• Resolution: 2.02 Å
• Binding residue (original residue number in PDB): R85 R88 W89 R92
• Binding residue (residue number reindexed from 1): R85 R88 W89 R92
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): R83 R92 D95 D97
• Catalytic site (residue number reindexed from 1): R83 R92 D95 D97
• Enzyme Commision number: 2.7.6.3: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase.

Gene Ontology

Molecular Function

• GO:0003848 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity

Biological Process

• GO:0009396 folic acid-containing compound biosynthetic process
• GO:0016310 phosphorylation
• GO:0046654 tetrahydrofolate biosynthetic process
• GO:0046656 folic acid biosynthetic process

External links

• PDB: RCSB:1cbk, PDBe:1cbk, PDBj:1cbk
• PDBsum: 1cbk
• PubMed: 10080886
• UniProt: P43777|HPPK_HAEIN 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase (Gene Name=folK)