Structure of PDB 2q7d Chain B Binding Site BS02

Receptor Information

>2q7d Chain B (length=336) Species: 9606 (Homo sapiens)

HHHHHHMQTFLKGKRVGYWLSEKKIKKLNFQAFAELCRKRGMEVVQLNLS
RPIEEQGPLDVIIHKLTDVILEADQNDSQSLELVHRFQEYIDAHPETIVL
DPLPAIRTLLDRSKSYELIRKIEAYMEDDRICSPPFMELTSLTMRLLEKN
GLTFPFICKTRVAHGNSHEMAIVFNQEGLNAIQPPCVVQNFINHNAVLYK
VFVVGESYTVVQRPSLKNFSAGTSDRESIFFNSHNVSKPESSSVLTELDK
IEGVFERPSDEVIRELSRALRQALGVSLFGIDIIINNQTGQHAVIDINAF
PGYEGVSEFFTDLLNHIATVLQGQSTAMAATGDVAL

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 2q7d Chain B Residue 904

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2q7d Integration of inositol phosphate signaling pathways via human ITPK1.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): D295 N297
• Binding residue (residue number reindexed from 1): D296 N298
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.134: inositol-tetrakisphosphate 1-kinase.
  2.7.1.159: inositol-1,3,4-trisphosphate 5/6-kinase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0005524 ATP binding
• GO:0046872 metal ion binding
• GO:0047325 inositol-3,4,5,6-tetrakisphosphate 1-kinase activity
• GO:0052725 inositol-1,3,4-trisphosphate 6-kinase activity
• GO:0052726 inositol-1,3,4-trisphosphate 5-kinase activity

Biological Process

• GO:0032957 inositol trisphosphate metabolic process

External links

• PDB: RCSB:2q7d, PDBe:2q7d, PDBj:2q7d
• PDBsum: 2q7d
• PubMed: 17616525
• UniProt: Q13572|ITPK1_HUMAN Inositol-tetrakisphosphate 1-kinase (Gene Name=ITPK1)