Structure of PDB 3e62 Chain A

Receptor sequence
>3e62A (length=293) Species: 9606 (Homo sapiens) [Search protein sequence]
RDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHST
EEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLR
DYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENEN
RVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVW
SFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRL
PRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMA
3D structure
PDB3e62 Fragment-based discovery of JAK-2 inhibitors.
ChainA
Resolution1.922 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D976 A978 R980 N981 D994 S1016
Catalytic site (residue number reindexed from 1) D138 A140 R142 N143 D156 S178
Enzyme Commision number 2.7.10.2: non-specific protein-tyrosine kinase.
Interaction with ligand
Site
#
Ligand Ligand
chain
Binding residues on receptor
(original residue number in PDB)
Binding residues on receptor
(residue number reindexed from 1)
Binding affinity
BS01 5B1 A V863 A880 M929 E930 Y931 L932 L983 V25 A42 M91 E92 Y93 L94 L145 MOAD: ic50=40.9uM
PDBbind-CN: -logKd/Ki=4.39,IC50=40.9uM
BindingDB: IC50=40900nM
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

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Molecular Function

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Biological Process
External links
PDB RCSB:3e62, PDBe:3e62, PDBj:3e62
PDBsum3e62
PubMed19019674
UniProtO60674|JAK2_HUMAN Tyrosine-protein kinase JAK2 (Gene Name=JAK2)

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