6AUB

CRYSTAL STRUCTURE OF BRUTON'S TYROSINE KINASE IN COMPLEX WITH INHIBITOR CGI2815

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Functional Information from GO Data

ChainGOidnamespacecontents
A0005737cellular_componentcytoplasm
A0031410cellular_componentcytoplasmic vesicle
A0005829cellular_componentcytosol
A0042629cellular_componentmast cell granule
A0045121cellular_componentmembrane raft
A0005634cellular_componentnucleus
A0048471cellular_componentperinuclear region of cytoplasm
A0005886cellular_componentplasma membrane
A0005524molecular_functionATP binding
A0042802molecular_functionidentical protein binding
A0046872molecular_functionmetal ion binding
A0004715molecular_functionnon-membrane spanning protein tyrosine kinase activity
A0005547molecular_functionphosphatidylinositol-3,4,5-trisphosphate binding
A0004713molecular_functionprotein tyrosine kinase activity
A0002250biological_processadaptive immune response
A0097190biological_processapoptotic signaling pathway
A0042113biological_processB cell activation
A0002344biological_processB cell affinity maturation
A0050853biological_processB cell receptor signaling pathway
A0019722biological_processcalcium-mediated signaling
A0048469biological_processcell maturation
A0098761biological_processcellular response to interleukin-7
A0071226biological_processcellular response to molecule of fungal origin
A0034614biological_processcellular response to reactive oxygen species
A0038095biological_processFc-epsilon receptor signaling pathway
A0002553biological_processhistamine secretion by mast cell
A0007249biological_processI-kappaB kinase/NF-kappaB signaling
A0045087biological_processinnate immune response
A0035556biological_processintracellular signal transduction
A0007498biological_processmesoderm development
A0002755biological_processMyD88-dependent toll-like receptor signaling pathway
A0030889biological_processnegative regulation of B cell proliferation
A0001818biological_processnegative regulation of cytokine production
A0038083biological_processpeptidyl-tyrosine autophosphorylation
A0018108biological_processpeptidyl-tyrosine phosphorylation
A0045579biological_processpositive regulation of B cell differentiation
A0051092biological_processpositive regulation of NF-kappaB transcription factor activity
A0001812biological_processpositive regulation of type I hypersensitivity
A0001805biological_processpositive regulation of type III hypersensitivity
A0006468biological_processprotein phosphorylation
A0002902biological_processregulation of B cell apoptotic process
A0002721biological_processregulation of B cell cytokine production
A0050852biological_processT cell receptor signaling pathway
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC15binding site for residue SO4 A 701
ChainResidue
ALYS466
AARG487
AARG490
AHOH825
AHOH846

AC26binding site for residue SO4 A 702
ChainResidue
ASER592
ALYS595
ATYR617
APRO619
AHIS620
AHOH854

AC321binding site for residue BXM A 703
ChainResidue
ALEU408
AGLY411
APHE413
AVAL416
AALA428
ALYS430
ATHR474
AGLU475
ATYR476
AMET477
AALA478
AGLY480
AASP521
AASN526
ALEU528
AASP539
ASER543
AVAL546
ATYR551
AHOH888
AHOH926

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Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
BXM_6aub_A_703254-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide binding site
ChainResidueligand
ALEU408-PHE413BXM: 4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
AVAL416BXM: 4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
AALA428BXM: 4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
ALYS430BXM: 4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
AVAL458BXM: 4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
ATHR474-GLY480BXM: 4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
AASP521BXM: 4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
AASN526BXM: 4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
ALEU528BXM: 4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
AASP539BXM: 4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
ALEU542-SER543BXM: 4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
AVAL546BXM: 4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
ATYR551BXM: 4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide

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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
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Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
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Catalytic Information from CSA

site_idNumber of ResiduesDetails