Structure of PDB 6x3n Chain A

Receptor sequence
>6x3nA (length=254) Species: 9606 (Homo sapiens) [Search protein sequence]
YGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDE
FIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRH
RFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFG
LSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSE
TAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVM
DEES
3D structure
PDB6x3n Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
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
Catalytic site (residue number reindexed from 1) D130 A132 R134 N135 D148
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 ULV A L408 A428 K430 M449 I472 T474 Y476 M477 G480 C481 N484 L528 L542 L17 A37 K39 M58 I81 T83 Y85 M86 G89 C90 N93 L137 L151 MOAD: ic50=0.083nM
BS02 5WE A S394 W395 I397 W421 Y425 S453 Y461 S3 W4 I6 W30 Y34 S62 Y70
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:6x3n, PDBe:6x3n, PDBj:6x3n
PDBsum6x3n
PubMed32738973
UniProtQ06187|BTK_HUMAN Tyrosine-protein kinase BTK (Gene Name=BTK)

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