Structure of PDB 4mha Chain B Binding Site BS01

Receptor Information

>4mha Chain B (length=246) Species: 9606 (Homo sapiens)

LEDVVIDRNLLILGKILGEGEFGSVMEGNLKQEDGTSLKVAVKTMKDFSH
PNVIRLLGVCIEMSSQGIPKPMVILPFMKYGDLHTYLLYSRLETGPKHIP
LQTLLKFMVDIALGMEYLSNRNFLHRDLAARNCMLRDDMTVCVADFPVKW
IAIESLADRVYTSKSDVWAFGVTMWEIATRGMTPYPGVQNHEMYDYLLHG
HRLKQPEDCLDELYEIMYSCWRTDPLDRPTFSVLRLQLEKLLESLP

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: 4mha Chain B Residue 904

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4mha Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.
• Resolution: 2.59 Å
• Binding residue (original residue number in PDB): N728 D741
• Binding residue (residue number reindexed from 1): N132 D145
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D723 A725 R727 N728 D741
• Catalytic site (residue number reindexed from 1): D127 A129 R131 N132 D145
• Enzyme Commision number: 2.7.10.1: receptor 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:4mha, PDBe:4mha, PDBj:4mha
• PDBsum: 4mha
• PubMed: 24219778
• UniProt: Q12866|MERTK_HUMAN Tyrosine-protein kinase Mer (Gene Name=MERTK)