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3V5L

Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 542

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0004713molecular_functionprotein tyrosine kinase activity
A0004715molecular_functionnon-membrane spanning protein tyrosine kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
B0004672molecular_functionprotein kinase activity
B0004713molecular_functionprotein tyrosine kinase activity
B0004715molecular_functionnon-membrane spanning protein tyrosine kinase activity
B0005524molecular_functionATP binding
B0006468biological_processprotein phosphorylation
C0004672molecular_functionprotein kinase activity
C0004713molecular_functionprotein tyrosine kinase activity
C0004715molecular_functionnon-membrane spanning protein tyrosine kinase activity
C0005524molecular_functionATP binding
C0006468biological_processprotein phosphorylation
D0004672molecular_functionprotein kinase activity
D0004713molecular_functionprotein tyrosine kinase activity
D0004715molecular_functionnon-membrane spanning protein tyrosine kinase activity
D0005524molecular_functionATP binding
D0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 0G1 A 701
ChainResidue
AILE369
AGLY441
ACYS442
ALEU489
D0G1701
AVAL377
AALA389
APHE435
AGLU436
APHE437
AMET438
AGLU439
AHIS440

site_idAC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 0G1 B 701
ChainResidue
BILE369
BVAL377
BALA389
BGLU436
BPHE437
BMET438
BGLU439
BHIS440
BGLY441
BCYS442
BLEU489
C0G1701

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 B 702
ChainResidue
BARG451
BLYS556
BHOH823
BHOH836
BHOH893
BHOH914
CARG451
CLYS556
CGLU560

site_idAC4
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 0G1 C 701
ChainResidue
B0G1701
CILE369
CGLY370
CVAL377
CALA389
CGLU436
CPHE437
CMET438
CGLU439
CHIS440
CGLY441
CLEU489

site_idAC5
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 0G1 D 701
ChainResidue
A0G1701
DILE369
DGLY370
DVAL377
DALA389
DPHE435
DGLU436
DPHE437
DMET438
DGLU439
DHIS440
DGLY441
DCYS442
DLEU489

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues23
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGSGQFGLVHlGywlnkdk...........VAIK
ChainResidueDetails
AILE369-LYS391

site_idPS00109
Number of Residues13
DetailsPROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. VIHrDLAARNCLV
ChainResidueDetails
AVAL478-VAL490

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028
ChainResidueDetails
AASP482
BASP482
CASP482
DASP482

site_idSWS_FT_FI2
Number of Residues8
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
AILE369
ALYS391
BILE369
BLYS391
CILE369
CLYS391
DILE369
DLYS391

site_idSWS_FT_FI3
Number of Residues4
DetailsMOD_RES: Phosphotyrosine; by LCK => ECO:0007744|PubMed:19690332
ChainResidueDetails
ATYR512
BTYR512
CTYR512
DTYR512

site_idSWS_FT_FI4
Number of Residues4
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:19690332
ChainResidueDetails
ASER565
BSER565
CSER565
DSER565

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PDB entries from 2024-10-09

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