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4LUE

Crystal Structure of HCK in complex with 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (resulting from displacement of SKF86002)

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0004713molecular_functionprotein tyrosine kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
B0004672molecular_functionprotein kinase activity
B0004713molecular_functionprotein tyrosine kinase activity
B0005524molecular_functionATP binding
B0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CA A 601
ChainResidue
AGLU490
BGLU524
BPTR527

site_idAC2
Number of Residues13
DetailsBINDING SITE FOR RESIDUE VSE A 602
ChainResidue
AMET341
AGLY344
ASER345
AASP348
AASP404
APHE405
AGOL605
AVAL281
AALA293
ALYS295
AVAL323
ATHR338
AGLU339

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 603
ChainResidue
AARG85
AARG123
AARG128

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 604
ChainResidue
AARG388
AASN391
AASP404
AHOH704

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 605
ChainResidue
APHE340
AMET341
AALA342
AGLY344
AVSE602

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CA B 601
ChainResidue
AGLU524
APTR527
BGLU490

site_idAC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE GOL B 602
ChainResidue
BASN391
BASP404

site_idAC8
Number of Residues14
DetailsBINDING SITE FOR RESIDUE VSE B 603
ChainResidue
BLEU273
BVAL281
BALA293
BLYS295
BVAL323
BILE336
BTHR338
BGLU339
BMET341
BSER345
BASP348
BASP404
BPHE405
BGOL606

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL B 604
ChainResidue
BARG85
BARG123
BARG128

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE IMD B 605
ChainResidue
BGLU145
BGLU147
BPHE150
BSER248

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL B 606
ChainResidue
BLEU273
BPHE340
BMET341
BALA342
BGLY344
BVSE603

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues23
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGAGQFGEVWmAtynkhtk...........VAVK
ChainResidueDetails
ALEU273-LYS295

site_idPS00109
Number of Residues13
DetailsPROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. YIHrDLRAANILV
ChainResidueDetails
ATYR382-VAL394

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsActive site: {"description":"Proton acceptor"}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues18
DetailsBinding site: {}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsModified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues2
DetailsModified residue: {"description":"Phosphotyrosine","evidences":[{"source":"UniProtKB","id":"P08103","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues2
DetailsModified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

245663

PDB entries from 2025-12-03

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