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5CQW

Tetragonal Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole-Based Inhibitor Generated by click-chemistry

Replaces:  4BXA
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
Functional Information from PDB Data
site_idAC1
Number of Residues8
Detailsbinding site for residue JRJ A 401
ChainResidue
ALEU45
APHE113
AGLU114
AVAL116
AASP120
AMET163
AILE174
AASP175

site_idAC2
Number of Residues4
Detailsbinding site for residue SO4 A 402
ChainResidue
AARG155
AASN189
AHOH506
AARG80

site_idAC3
Number of Residues3
Detailsbinding site for residue SO4 A 403
ChainResidue
AHIS276
ASER277
ALYS279

site_idAC4
Number of Residues4
Detailsbinding site for residue SO4 A 404
ChainResidue
ALYS158
AHIS160
ASER194
AHOH538

site_idAC5
Number of Residues3
Detailsbinding site for residue SO4 A 405
ChainResidue
ATRP33
AHOH508
BGOL408

site_idAC6
Number of Residues3
Detailsbinding site for residue SO4 A 406
ChainResidue
ALYS74
ALYS75
BLYS75

site_idAC7
Number of Residues5
Detailsbinding site for residue SO4 A 407
ChainResidue
AVAL73
ALYS74
ALYS77
BLYS75
BARG107

site_idAC8
Number of Residues4
Detailsbinding site for residue CL A 408
ChainResidue
AHIS148
ATHR314
AALA315
AHOH518

site_idAC9
Number of Residues3
Detailsbinding site for residue GOL A 409
ChainResidue
AASP299
ALYS303
BPRO295

site_idAD1
Number of Residues2
Detailsbinding site for residue GOL A 410
ChainResidue
AHIS234
AARG244

site_idAD2
Number of Residues7
Detailsbinding site for residue JRJ B 401
ChainResidue
AARG107
BGLU114
BVAL116
BASP120
BHIS160
BMET163
BASP175

site_idAD3
Number of Residues4
Detailsbinding site for residue SO4 B 402
ChainResidue
BARG80
BARG155
BASN189
BHOH513

site_idAD4
Number of Residues4
Detailsbinding site for residue SO4 B 403
ChainResidue
BARG191
BLYS198
BASN238
BHOH506

site_idAD5
Number of Residues2
Detailsbinding site for residue SO4 B 404
ChainResidue
BHIS276
BLYS279

site_idAD6
Number of Residues3
Detailsbinding site for residue SO4 B 405
ChainResidue
ALYS74
BTRP33
BLYS102

site_idAD7
Number of Residues1
Detailsbinding site for residue SO4 B 406
ChainResidue
BARG244

site_idAD8
Number of Residues4
Detailsbinding site for residue CL B 407
ChainResidue
BHIS148
BTHR314
BALA315
BHOH516

site_idAD9
Number of Residues5
Detailsbinding site for residue GOL B 408
ChainResidue
ALYS102
AARG107
ASO4405
BARG47
BLYS76

site_idAE1
Number of Residues4
Detailsbinding site for residue GOL B 409
ChainResidue
AVAL293
ALEU298
BASP299
BLYS303

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues24
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGRGKYSEVFeAinitnnek..........VVVK
ChainResidueDetails
ALEU45-LYS68

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. ImHrDVKphNVMI
ChainResidueDetails
AILE152-ILE164

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
AASP156
BASP156

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
ALEU45
ALYS68
BLEU45
BLYS68

226707

PDB entries from 2024-10-30

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