Structure of PDB 6glb Chain A

Receptor sequence
>6glbA (length=288) Species: 9606 (Homo sapiens) [Search protein sequence]
DPTIFEERHLKYISQLGKGNFGSVELCRYDPLGDNTGALVAVKQLQHSGP
DQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRD
FLQRHRARLDASRLLLYSSQICKGMEYLGSRRCVHRALAARNILVESEAH
VKIADFGLAKLLPLDKDYYVVRQSPIFWYAPESLSDNIFSRQSDVWSFGV
VLYELFTYCDKSCSPSAEFLRMMGSERDVPALSRLLELLEEGQRLPAPPA
CPAEVHELMKLCWAPSPQDRPSFSALGPQLDMLWSGSR
3D structure
PDB6glb Development, Optimization, and Structure-Activity Relationships of Covalent-Reversible JAK3 Inhibitors Based on a Tricyclic Imidazo[5,4- d]pyrrolo[2,3- b]pyridine Scaffold.
ChainA
Resolution2.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) A949 A951 R953 N954 D967
Catalytic site (residue number reindexed from 1) A137 A139 R141 N142 D155
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 F48 A L828 V836 A853 E903 Y904 L905 C909 R953 N954 L956 L16 V24 A41 E91 Y92 L93 C97 R141 N142 L144 MOAD: ic50=129nM
PDBbind-CN: -logKd/Ki=6.89,Kd=129nM
BindingDB: IC50=10.0nM
BS02 PHU A W1011 M1037 R1059 L1060 W1078 W196 M222 R244 L245 W263
Gene Ontology
Molecular Function
GO:0004672 protein 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:6glb, PDBe:6glb, PDBj:6glb
PDBsum6glb
PubMed29852068
UniProtP52333|JAK3_HUMAN Tyrosine-protein kinase JAK3 (Gene Name=JAK3)

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