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5U7R

Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0004674molecular_functionprotein serine/threonine kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
B0004672molecular_functionprotein kinase activity
B0004674molecular_functionprotein serine/threonine kinase activity
B0005524molecular_functionATP binding
B0006468biological_processprotein phosphorylation
C0004672molecular_functionprotein kinase activity
C0004674molecular_functionprotein serine/threonine kinase activity
C0005524molecular_functionATP binding
C0006468biological_processprotein phosphorylation
D0004672molecular_functionprotein kinase activity
D0004674molecular_functionprotein serine/threonine kinase activity
D0005524molecular_functionATP binding
D0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues9
Detailsbinding site for residue 81G A 500
ChainResidue
AILE98
AALA119
ALYS121
AGLU170
AMET172
AASP218
ALEU221
AASP232
APHE384

site_idAC2
Number of Residues10
Detailsbinding site for residue 81G B 500
ChainResidue
BILE98
BGLY101
BALA119
BLYS121
BGLU170
BMET172
BASP218
BLEU221
BASP232
BPHE384

site_idAC3
Number of Residues12
Detailsbinding site for residue 81G C 500
ChainResidue
CALA119
CLYS121
CGLU140
CMET169
CGLU170
CTYR171
CMET172
CASP218
CLEU221
CALA231
CASP232
CPHE384

site_idAC4
Number of Residues11
Detailsbinding site for residue 81G D 500
ChainResidue
DILE98
DALA119
DLYS121
DGLU140
DMET169
DGLU170
DTYR171
DMET172
DASP218
DLEU221
DPHE384

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues24
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGRGAFGEVQlVrhkasqkv..........YAMK
ChainResidueDetails
AILE98-LYS121

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. LiHrDVKpdNMLL
ChainResidueDetails
ALEU210-LEU222

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues786
DetailsDomain: {"description":"Protein kinase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues4
DetailsActive site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues36
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues4
DetailsModified residue: {"description":"Phosphothreonine; by ROCK2","evidences":[{"source":"UniProtKB","id":"Q62868","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

247536

PDB entries from 2026-01-14

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