Structure of PDB 4ehz Chain A

Receptor sequence
>4ehzA (length=292) Species: 9606 (Homo sapiens) [Search protein sequence]
EKKPATEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAV
KSLKPHIADLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLPSG
SLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVE
SEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIAS
DVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGK
RLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALLK
3D structure
PDB4ehz Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
ChainA
Resolution2.174 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) D1003 A1005 R1007 N1008 D1021 D1040
Catalytic site (residue number reindexed from 1) D141 A143 R145 N146 D159 D178
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 JAK A V889 A906 M956 F958 L959 E966 L1010 V32 A49 M94 F96 L97 E104 L148 MOAD: Ki=10nM
PDBbind-CN: -logKd/Ki=8.00,Ki=10nM
BindingDB: EC50=250nM,Ki=10.0nM
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:4ehz, PDBe:4ehz, PDBj:4ehz
PDBsum4ehz
PubMed22698084
UniProtP23458|JAK1_HUMAN Tyrosine-protein kinase JAK1 (Gene Name=JAK1)

[Back to BioLiP]