Structure of PDB 3oct Chain A

Receptor sequence
>3octA (length=244) Species: 9606 (Homo sapiens) [Search protein sequence]
SWEIDPKDLTFLKELGQFGVVKYGKWRGQYDVAIKMIKMSEDEFIEEAKV
MMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQL
LEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRFPVR
WSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQ
GLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMD
3D structure
PDB3oct A novel, specific Btk inhibitor antagonizes BCR and Fc[gamma]R signaling and suppresses inflammatory arthritis
ChainA
Resolution1.95 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D521 A523 R525 N526 D539 F559
Catalytic site (residue number reindexed from 1) D123 A125 R127 N128 D141 F147
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 1N1 A A428 K430 M449 I472 T474 Y476 M477 A478 G480 L528 S538 F540 A33 K35 M51 I74 T76 Y78 M79 A80 G82 L130 S140 F142 PDBbind-CN: -logKd/Ki=8.30,IC50=5nM
BindingDB: Kd=1.4nM,IC50=3.0nM
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

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Molecular Function
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Biological Process
External links
PDB RCSB:3oct, PDBe:3oct, PDBj:3oct
PDBsum3oct
PubMed
UniProtQ06187|BTK_HUMAN Tyrosine-protein kinase BTK (Gene Name=BTK)

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