Structure of PDB 4otf Chain A

Receptor sequence
>4otfA (length=263) Species: 9606 (Homo sapiens) [Search protein sequence]
EIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEE
AKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQT
QQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRY
VLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGK
MPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFK
ILLSNILDVMDEN
3D structure
PDB4otf Potent and selective Bruton's tyrosine kinase inhibitors: Discovery of GDC-0834.
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) D126 A128 R130 N131 D144 F164
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 2VL A L408 T410 G411 Q412 F413 V416 A428 K430 Y476 M477 G480 L528 D539 L13 T15 G16 Q17 F18 V21 A33 K35 Y81 M82 G85 L133 D144 MOAD: ic50=0.006uM
PDBbind-CN: -logKd/Ki=8.22,IC50=0.006uM
BindingDB: IC50=6.0nM,EC50=380nM
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:4otf, PDBe:4otf, PDBj:4otf
PDBsum4otf
PubMed25701252
UniProtQ06187|BTK_HUMAN Tyrosine-protein kinase BTK (Gene Name=BTK)

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