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6Y9S

Crystal structure of GSK-3b in complex with the imidazo[1,5-a]pyridine-3-carboxamide inhibitor 16

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 Residues16
Detailsbinding site for residue OHK A 401
ChainResidue
AILE62
AARG141
AASN186
ALEU188
ACYS199
AASP200
AHOH522
AHOH555
APHE67
AALA83
ALYS85
ALEU132
AASP133
ATYR134
AVAL135
APRO136

site_idAC2
Number of Residues5
Detailsbinding site for residue ACT A 402
ChainResidue
AARG96
AARG180
ALYS205
AASN213
AVAL214

site_idAC3
Number of Residues2
Detailsbinding site for residue ACT A 403
ChainResidue
AGLN151
ATHR152

site_idAC4
Number of Residues16
Detailsbinding site for residue OHK B 401
ChainResidue
BPHE67
BALA83
BLYS85
BLEU132
BASP133
BTYR134
BVAL135
BPRO136
BTHR138
BARG141
BASN186
BLEU188
BCYS199
BASP200
BHOH537
BHOH560

site_idAC5
Number of Residues5
Detailsbinding site for residue ACT B 402
ChainResidue
BARG96
BARG180
BLYS205
BASN213
BVAL214

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

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PDB entries from 2024-07-10

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