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3R0T

Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-5279

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0004674molecular_functionprotein serine/threonine kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues20
DetailsBINDING SITE FOR RESIDUE FU9 A 338
ChainResidue
ALEU45
AVAL116
AASN118
AMET163
AILE174
AASP175
AEDO345
AEDO351
AHOH370
AHOH381
AHOH616
AGLY46
AHOH636
AARG47
AVAL53
AVAL66
ALYS68
APHE113
AGLU114
AHIS115

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 339
ChainResidue
AARG80
AARG155
AASN189
AVAL192
AHOH369
AHOH677

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 340
ChainResidue
AARG191
ALYS198
AASN238
APEG343

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 341
ChainResidue
AASP253
AARG278
AARG306
ATYR307
AASP308
AHOH397
AHOH442
AHOH465

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 342
ChainResidue
ALYS170
AARG172
AHOH428
AHOH463
AHOH649

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PEG A 343
ChainResidue
ASER194
AARG195
ATYR196
ASO4340
AHOH433
AHOH619

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 344
ChainResidue
AGLN36
ATYR39
AVAL101
AASP103
APRO104
AARG280

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 345
ChainResidue
AASN118
AASP120
AHIS160
AFU9338
AEDO348
AEDO351

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 346
ChainResidue
AASP37
APRO295
AHIS321
AHOH620

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 347
ChainResidue
APHE232
AHOH372
AHOH573
AHOH621
AHOH668

site_idBC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 348
ChainResidue
AASN118
ATHR119
AASP120
APHE121
APRO159
AVAL162
AMET163
AILE164
AEDO345

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 349
ChainResidue
ALYS158
AHIS160
ASER194
AEDO350
AHOH618
AHOH619

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 350
ChainResidue
APRO159
APHE197
AGLU230
AEDO349
AHOH618

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 351
ChainResidue
AASN118
AFU9338
AEDO345
AHOH455
AHOH575

site_idBC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 352
ChainResidue
AHOH531
AHOH642
AHOH679
APRO104
AARG278
ALYS279
AASP302

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 Residues1
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
AASP156

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
ALEU45
ALYS68

218853

PDB entries from 2024-04-24

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