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5N1V

Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand

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 Residues5
Detailsbinding site for residue SO4 A 401
ChainResidue
ALYS77
AARG80
AARG155
AASN189
AHOH506

site_idAC2
Number of Residues3
Detailsbinding site for residue SO4 A 402
ChainResidue
AARG191
ALYS198
AASN238

site_idAC3
Number of Residues4
Detailsbinding site for residue SO4 A 403
ChainResidue
ALYS75
ALYS102
ASO4405
ATRP33

site_idAC4
Number of Residues3
Detailsbinding site for residue SO4 A 404
ChainResidue
AARG280
AGLU282
AARG283

site_idAC5
Number of Residues5
Detailsbinding site for residue SO4 A 405
ChainResidue
ALYS75
ALYS102
AARG107
ASO4403
BLYS74

site_idAC6
Number of Residues2
Detailsbinding site for residue EDO A 406
ChainResidue
AGLN36
AALA110

site_idAC7
Number of Residues3
Detailsbinding site for residue EDO A 407
ChainResidue
AASP25
ATYR26
AGLU27

site_idAC8
Number of Residues3
Detailsbinding site for residue EDO A 408
ChainResidue
AASP299
ALYS303
BLEU298

site_idAC9
Number of Residues9
Detailsbinding site for residue EDO A 409
ChainResidue
AALA9
AARG10
AASP210
ASER212
AHIS309
AGLN310
AARG312
AHOH501
AHOH511

site_idAD1
Number of Residues7
Detailsbinding site for residue EDO A 410
ChainResidue
AVAL11
AHIS148
ATHR314
AALA315
AHOH501
AHOH505
AHOH511

site_idAD2
Number of Residues3
Detailsbinding site for residue EDO A 411
ChainResidue
ALYS75
BLYS74
BLYS75

site_idAD3
Number of Residues3
Detailsbinding site for residue EDO A 412
ChainResidue
AHIS276
ASER277
ALYS279

site_idAD4
Number of Residues11
Detailsbinding site for residue 8GQ A 413
ChainResidue
AVAL53
AVAL66
APHE113
AGLU114
AVAL116
AASN117
AASN118
AHIS160
AILE174
AASP175
AHOH534

site_idAD5
Number of Residues5
Detailsbinding site for residue SO4 B 401
ChainResidue
BLYS77
BARG80
BARG155
BASN189
BHOH553

site_idAD6
Number of Residues2
Detailsbinding site for residue SO4 B 402
ChainResidue
BTRP33
BLYS102

site_idAD7
Number of Residues3
Detailsbinding site for residue EDO B 403
ChainResidue
BASP25
BTYR26
BGLU27

site_idAD8
Number of Residues4
Detailsbinding site for residue EDO B 404
ChainResidue
AASP299
AASP302
BTRP281
BGLU282

site_idAD9
Number of Residues3
Detailsbinding site for residue EDO B 405
ChainResidue
BHIS276
BSER277
BLYS279

site_idAE1
Number of Residues3
Detailsbinding site for residue EDO B 406
ChainResidue
BARG191
BLYS198
BASN238

site_idAE2
Number of Residues8
Detailsbinding site for residue EDO B 407
ChainResidue
BARG8
BALA9
BARG10
BASP210
BTYR211
BGLN310
BEDO409
BHOH521

site_idAE3
Number of Residues2
Detailsbinding site for residue EDO B 408
ChainResidue
BGLN36
BALA110

site_idAE4
Number of Residues9
Detailsbinding site for residue EDO B 409
ChainResidue
BHOH529
BVAL11
BHIS148
BTYR211
BSER212
BTHR314
BALA315
BEDO407
BHOH507

site_idAE5
Number of Residues2
Detailsbinding site for residue EDO B 410
ChainResidue
BLYS229
BARG244

site_idAE6
Number of Residues4
Detailsbinding site for residue EDO B 411
ChainResidue
AARG47
BLYS75
BLYS102
BARG107

site_idAE7
Number of Residues13
Detailsbinding site for residue 8GQ B 412
ChainResidue
BLEU45
BVAL53
BVAL66
BPHE113
BGLU114
BVAL116
BASN117
BASN118
BHIS160
BMET163
BILE174
BASP175
BHOH552

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

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PDB entries from 2025-06-11

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