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6HK3

Crystal structure of GSK-3B in complex with pyrazine inhibitor C44

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 Residues14
Detailsbinding site for residue G8B A 401
ChainResidue
AALA83
AASP200
AGOL404
AHOH522
AHOH533
AHOH540
ALYS85
AVAL110
AASP133
ATYR134
AVAL135
APRO136
AARG141
ALEU188

site_idAC2
Number of Residues6
Detailsbinding site for residue MLI A 402
ChainResidue
AARG96
AARG180
ALYS205
AASN213
AVAL214
AHOH546

site_idAC3
Number of Residues6
Detailsbinding site for residue GOL A 403
ChainResidue
ATYR56
ATHR59
ATYR71
ALYS86
AASN129
BGLU290

site_idAC4
Number of Residues5
Detailsbinding site for residue GOL A 404
ChainResidue
ATYR140
AARG141
AGLN185
AG8B401
AHOH530

site_idAC5
Number of Residues3
Detailsbinding site for residue GOL A 405
ChainResidue
APTR216
ASER219
AARG220

site_idAC6
Number of Residues2
Detailsbinding site for residue CL A 406
ChainResidue
AARG167
AGLU366

site_idAC7
Number of Residues3
Detailsbinding site for residue DMS A 407
ChainResidue
ATYR146
ATYR157
ATYR161

site_idAC8
Number of Residues12
Detailsbinding site for residue G8B B 401
ChainResidue
BALA83
BLYS85
BVAL110
BASP133
BTYR134
BVAL135
BPRO136
BARG141
BLEU188
BASP200
BHOH537
BHOH559

site_idAC9
Number of Residues6
Detailsbinding site for residue MLI B 402
ChainResidue
BARG96
BARG180
BLYS205
BASN213
BVAL214
BHOH536

site_idAD1
Number of Residues3
Detailsbinding site for residue GOL B 403
ChainResidue
BTYR56
BLYS86
BASN129

site_idAD2
Number of Residues2
Detailsbinding site for residue CL B 404
ChainResidue
BHIS106
BGLU366

site_idAD3
Number of Residues3
Detailsbinding site for residue DMS B 405
ChainResidue
APRO51
BTYR157
BTYR161

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

218853

数据于2024-04-24公开中

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