Structure of PDB 3kxz Chain A Binding Site BS01

Receptor Information

>3kxz Chain A (length=264) Species: 9606 (Homo sapiens)

WEVPRETLKLVERLGAGQFGEVWMGYYNGHTKVAVKSLKQGSMSPDAFLA
EANLMKQLQHQRLVRLYAVVTQEPIYIITEYMENGSLVDFLKTPSGIKLT
INKLLDMAAQIAEGMAFIEERNYIHRDLRAANILVSDTLSCKIADFGLAR
LIEDNEYTAREGAKFPIKWTAPEAINYGTFTIKSDVWSFGILLTEIVTHG
RIPYPGMTNPEVIQNLERGYRMVRPDNCPEELYQLMRLCWKERPEDRPTF
DYLRSVLEDFFTAT

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: 3kxz Chain A Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3kxz Novel synthesis and structural characterization of a high-affinity paramagnetic kinase probe for the identification of non-ATP site binders by nuclear magnetic resonance.
• Resolution: 2.37 Å
• Binding residue (original residue number in PDB): P331 S332
• Binding residue (residue number reindexed from 1): P94 S95
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D364 R366 A368 N369 D382 A400 F402
• Catalytic site (residue number reindexed from 1): D127 R129 A131 N132 D145 A163 F165
• Enzyme Commision number: 2.7.10.2: non-specific protein-tyrosine kinase.

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0004713 protein tyrosine kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation

External links

• PDB: RCSB:3kxz, PDBe:3kxz, PDBj:3kxz
• PDBsum: 3kxz
• PubMed: 20038108
• UniProt: P06239|LCK_HUMAN Tyrosine-protein kinase Lck (Gene Name=LCK)