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4X3J

Selection of fragments for kinase inhibitor design: decoration is key

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues14
Detailsbinding site for residue 3WR A 1201
ChainResidue
AALA853
ALEU971
AILE980
AALA981
AASP982
APHE983
AGLU872
AVAL875
AILE902
AGLU903
ATYR904
AALA905
APHE960
AHIS962

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues26
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGEGNFGQVLkArikkdglrmd........AAIK
ChainResidueDetails
AILE830-LYS855

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Proton acceptor => ECO:0000305|PubMed:11080633
ChainResidueDetails
AASN964

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000305
ChainResidueDetails
ALYS855
AILE830

site_idSWS_FT_FI3
Number of Residues3
DetailsMOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:11513602
ChainResidueDetails
ATYR992
ATYR1108
ATYR860

site_idSWS_FT_FI4
Number of Residues1
DetailsMOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:14665640, ECO:0000269|PubMed:27270174
ChainResidueDetails
ATYR1102

221051

PDB entries from 2024-06-12

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