Structure of PDB 4p7e Chain A

Receptor sequence
>4p7eA (length=283) Species: 9606 (Homo sapiens) [Search protein sequence]
QFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHL
RDFEREIEILKSLQHDNIVKYKGVCYSNLKLIMEYLPYGSLRDYLQKHKE
RIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFG
LTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYE
LFTYIEKSKSPPAEFMRMIGNGQMIVFHLIELLKNNGRLPRPDGCPDEIY
MIMTECWNNNVNQRPSFRDLALRVDQIRDQMAG
3D structure
PDB4p7e Triazolopyridines as Selective JAK1 Inhibitors: From Hit Identification to GLPG0634.
ChainA
Resolution2.4 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) D130 A132 R134 N135 D148 S170
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 2HB A L855 G856 G861 S862 V863 A880 M929 Y931 L932 G935 L983 D994 L13 G14 G19 S20 V21 A38 M83 Y85 L86 G89 L137 D148 PDBbind-CN: -logKd/Ki=4.76,IC50=17.5uM
BindingDB: IC50=>10000nM
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

View graph for
Molecular Function

View graph for
Biological Process
External links
PDB RCSB:4p7e, PDBe:4p7e, PDBj:4p7e
PDBsum4p7e
PubMed25369270
UniProtO60674|JAK2_HUMAN Tyrosine-protein kinase JAK2 (Gene Name=JAK2)

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