Structure of PDB 6vvg Chain B Binding Site BS01

Receptor Information
>6vvg Chain B (length=264) Species: 654905 (Cydia pomonella granulosis virus (isolate Mexican)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSKSISRVAQELSKYEILKKLDESSSVYLCKKKGEHKRFVCKIVKPSTFN
SLEFDVHILMRNNPNFIKLHNFVFNDNGESLLIMDYVSDGDLFDFVKRLN
EAACKKIIITLVTALNDLHKNNIVHNDVKLENLLYDRKKKRLFVCDYGLS
RIVGTPSFYDGTTVYFSPEKIRHEAYQTSFDWWAVGVVAYEILSTEYPFD
INEDNEEEMDAIEPKDMLPLYSKPLPTIEHVSKKANDFVRRMLALDINSR
LSTYDEIIKHPFLC
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 chain6vvg Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6vvg Granulovirus PK-1 kinase activity relies on a side-to-side dimerization mode centered on the regulatory alpha C helix.
Resolution2.01 Å
Binding residue
(original residue number in PDB)		V47 K49 M91 D92 Y93 V94 S95 L148 D160
Binding residue
(residue number reindexed from 1)		V40 K42 M84 D85 Y86 V87 S88 L134 D146
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D141 K143 N146 D160 T169
Catalytic site (residue number reindexed from 1) D127 K129 N132 D146 T155
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6vvg, PDBe:6vvg, PDBj:6vvg
PDBsum6vvg
PubMed33579933
UniProtA0A097P1P8

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