4ZLY

Crystal Structure of Bruton's Tyrosine Kinase bound to a Cinnoline Fragment

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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
AC17binding site for residue IMD A 701
ChainResidue
AARG562
AMET596
AGLU599
APHE601
ASER649
ALEU652
AASP653

AC22binding site for residue IMD A 702
ChainResidue
ATYR461
AHOH1026

AC35binding site for residue IPA A 703
ChainResidue
ALYS420
AGLN424
ATYR425
AASP426
AHOH869

AC45binding site for residue DMS A 704
ChainResidue
ATHR403
APHE404
ATYR627
ATYR631
AHOH920

AC59binding site for residue 4RU A 705
ChainResidue
ALEU408
AALA428
ATHR474
AGLU475
ATYR476
AMET477
ALEU528
AHOH949
AHOH1034

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

site_idNumber of ResiduesDetails
IMD_4zly_A_7025IMIDAZOLE binding site
ChainResidueligand
AILE397IMD: IMIDAZOLE
ATRP421IMD: IMIDAZOLE
ATYR425IMD: IMIDAZOLE
AVAL427IMD: IMIDAZOLE
ATYR461IMD: IMIDAZOLE

4RU_4zly_A_705144-aminocinnoline-3-carboxamide binding site
ChainResidueligand
ALEU408-THR4104RU: 4-aminocinnoline-3-carboxamide
AVAL4164RU: 4-aminocinnoline-3-carboxamide
AALA4284RU: 4-aminocinnoline-3-carboxamide
AVAL4584RU: 4-aminocinnoline-3-carboxamide
ATHR474-ALA4784RU: 4-aminocinnoline-3-carboxamide
AGLY480-CYS4814RU: 4-aminocinnoline-3-carboxamide
ALEU5284RU: 4-aminocinnoline-3-carboxamide

IPA_4zly_A_7034ISOPROPYL ALCOHOL binding site
ChainResidueligand
ALYS420IPA: ISOPROPYL ALCOHOL
AGLN424-ASP426IPA: ISOPROPYL ALCOHOL

IMD_4zly_A_7016IMIDAZOLE binding site
ChainResidueligand
AARG562IMD: IMIDAZOLE
AMET596IMD: IMIDAZOLE
ATYR598-PHE601IMD: IMIDAZOLE

DMS_4zly_A_7043DIMETHYL SULFOXIDE binding site
ChainResidueligand
ATYR627-THR628DMS: DIMETHYL SULFOXIDE
ATYR631DMS: DIMETHYL SULFOXIDE

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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
SWS_FT_FI11Proton acceptor. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000255|PROSITE- ProRule:PRU10028}.
ChainResidueDetails
AASP133

SWS_FT_FI24Zinc. {ECO:0000269|PubMed:10196129, ECO:0000269|PubMed:9218782, ECO:0000269|Ref.45}
ChainResidueDetails
ANA*
ANA*
ANA*
ANA*

SWS_FT_FI34Inhibitor. {ECO:0000269|PubMed:21280133, ECO:0000269|Ref.44, ECO:0000269|Ref.45}.
ChainResidueDetails
AGLU57
ATYR73
AMET89
ASER150

SWS_FT_FI41Inositol-(1,3,4,5)-tetrakisphosphate; via carbonyl oxygen. {ECO:0000269|PubMed:10196129}.
ChainResidueDetails
ANA*

SWS_FT_FI51ATP. {ECO:0000255|PROSITE- ProRule:PRU00159}.
ChainResidueDetails
ALYS42

SWS_FT_FI61Inhibitor; via amide nitrogen. {ECO:0000269|PubMed:21280133, ECO:0000269|Ref.44, ECO:0000269|Ref.45}.
ChainResidueDetails
AASP151

SWS_FT_FI73Inositol-(1,3,4,5)-tetrakisphosphate. {ECO:0000269|PubMed:10196129}.
ChainResidueDetails
ANA*
ANA*
ANA*

SWS_FT_FI81Inhibitor; via carbonyl oxygen. {ECO:0000269|PubMed:21280133, ECO:0000269|Ref.44, ECO:0000269|Ref.45}.
ChainResidueDetails
ALEU154

SWS_FT_FI99ATP. {ECO:0000255|PROSITE- ProRule:PRU00159}.
ChainResidueDetails
ANA*

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Catalytic Information from CSA

site_idNumber of ResiduesDetails