Structure of PDB 6tpf Chain A

Receptor sequence
>6tpfA (length=288) Species: 9606 (Homo sapiens) [Search protein sequence]
EVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPG
GNHIADLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLPSGSLK
EYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEH
QVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVW
SFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLP
CPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALL
3D structure
PDB6tpf Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
ChainA
Resolution2.31 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 R1007 N1008 D1021
Catalytic site (residue number reindexed from 1) D138 R142 N143 D156
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 NTQ A G882 E883 V889 A906 K908 E957 F958 L959 G962 L1010 D1021 G19 E20 V26 A43 K45 E92 F93 L94 G97 L145 D156 MOAD: ic50=0.0064uM
BindingDB: IC50=1700nM
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:6tpf, PDBe:6tpf, PDBj:6tpf
PDBsum6tpf
PubMed32462873
UniProtP23458|JAK1_HUMAN Tyrosine-protein kinase JAK1 (Gene Name=JAK1)

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