Structure of PDB 4fk6 Chain A

Receptor sequence
>4fk6A (length=287) Species: 9606 (Homo sapiens) [Search protein sequence]
TEVDPTHFEKRFLKRIRDLGEFGKVELCRYDPEGDNTGEQVAVKSLKPEN
HIADLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLPSGSLKEY
LPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQV
KIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSF
GVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCP
PNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALLK
3D structure
PDB4fk6 Structure-based discovery of C-2 substituted imidazo-pyrrolopyridine JAK1 inhibitors with improved selectivity over JAK2.
ChainA
Resolution2.2 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D1003 A1005 R1007 N1008 D1021 D1040
Catalytic site (residue number reindexed from 1) D136 A138 R140 N141 D154 D173
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 0UJ A R879 L881 V889 A906 F958 L959 E966 R1007 N1008 L1010 R17 L19 V25 A42 F91 L92 E99 R140 N141 L143 MOAD: Ki=0.2nM
PDBbind-CN: -logKd/Ki=9.70,Ki=0.2nM
BindingDB: Ki=3.2nM,EC50=355nM,IC50=1.000nM
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:4fk6, PDBe:4fk6, PDBj:4fk6
PDBsum4fk6
PubMed23107482
UniProtP23458|JAK1_HUMAN Tyrosine-protein kinase JAK1 (Gene Name=JAK1)

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