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3ZRK

Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
B0004672molecular_functionprotein kinase activity
B0005524molecular_functionATP binding
B0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PTR A 216
ChainResidue
AVAL214
ASER215
AILE217
AARG220
AARG223
AHOH2041
XHIS200

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1386
ChainResidue
ALYS205
AASN213
AVAL214
AARG96
AARG180

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 1387
ChainResidue
AARG306
APRO307
AARG308

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE GOL A 1388
ChainResidue
APRO154
AVAL155

site_idAC5
Number of Residues1
DetailsBINDING SITE FOR RESIDUE SO4 A 1390
ChainResidue
AARG96

site_idAC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE ZRK A 1400
ChainResidue
APHE67
AALA83
ALYS85
AASP133
ATYR134
AVAL135
ALEU188
AASP200
AHOH2032
AHOH2033

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE PTR B 216
ChainResidue
BVAL214
BSER215
BILE217
BARG220
BARG223
BHOH2050
BHOH2069
BHOH2107

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1384
ChainResidue
BARG96
BARG180
BLYS205
BASN213
BVAL214

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL B 1386
ChainResidue
ALYS297
BPRO154
BVAL155

site_idBC1
Number of Residues1
DetailsBINDING SITE FOR RESIDUE SO4 B 1390
ChainResidue
BARG96

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1391
ChainResidue
ALEU207
AVAL208
AARG209
AHOH2036
BARG209

site_idBC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE ZRK B 1400
ChainResidue
BPHE67
BVAL70
BALA83
BLYS85
BASP133
BTYR134
BVAL135
BLEU188
BASP200
BHOH2039
BHOH2040

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues25
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGNGSFGVVYqAklcdsgelv.........AIKK
ChainResidueDetails
AILE62-LYS86

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IcHrDIKpqNLLL
ChainResidueDetails
AILE177-LEU189

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
AASP181
BASP181

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
AILE62
BILE62

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000305|PubMed:17050006
ChainResidueDetails
ALYS85
BLYS85

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphotyrosine => ECO:0000269|PubMed:12554650, ECO:0000269|PubMed:25169422
ChainResidueDetails
APTR216
BPTR216

site_idSWS_FT_FI5
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0000250|UniProtKB:Q9WV60
ChainResidueDetails
ASER389
BSER389

site_idSWS_FT_FI6
Number of Residues2
DetailsMOD_RES: Phosphothreonine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:23186163
ChainResidueDetails
ATHR390
BTHR390

226707

PDB entries from 2024-10-30

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