Structure of PDB 6o6q Chain B Binding Site BS01

Receptor Information
>6o6q Chain B (length=325) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RHNTVQSVSRVYADVLSTKPQSYWDYDDLNIKWNPQENYEILRKLGRGKY
SEVFLGIDLEKREKVVIKVLKPVKRKKIKREISILKNLVDGPNIIAMLDV
VRKTPGLIFEHINNIDFRSLYPTFTDYDIRFYMYELLKALDYSHSMGIMH
RDVKPHNVMIDHDKKLLRLIDWGLAEYYHPGTEYNVRVASRYFKGPELLV
DYRLYDYSLDMWSFGCMLASMVFMKEPFFHGKSNTDQLVQIVRVLGSKNF
KKYLEKYNISLGEEYEDIGYYNKRQWVRFMNENNKDLVSQEFLDLIDRLL
RYDHQERLTAKEAMKHAYFDPIRVA
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain6o6q Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6o6q Crystal structure of Cka1p, a casein kinase 2 alpha ortholog from Candida albicans
Resolution2.7 Å
Binding residue
(original residue number in PDB)		L49 V57 V70 H119 I120 H164 M167
Binding residue
(residue number reindexed from 1)		L45 V53 V66 H111 I112 H156 M159
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D160 K162 N165 D179 S198
Catalytic site (residue number reindexed from 1) D152 K154 N157 D171 S190
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0005524 ATP binding
GO:0106310 protein serine kinase activity
Biological Process
GO:0006356 regulation of transcription by RNA polymerase I
GO:0006359 regulation of transcription by RNA polymerase III
GO:0006468 protein phosphorylation
GO:0006974 DNA damage response
GO:0016310 phosphorylation
GO:0042273 ribosomal large subunit biogenesis
GO:0051726 regulation of cell cycle
Cellular Component
GO:0005634 nucleus
GO:0005829 cytosol
GO:0005956 protein kinase CK2 complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6o6q, PDBe:6o6q, PDBj:6o6q
PDBsum6o6q
PubMed
UniProtA0A1D8PUA2

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