Structure of PDB 6vwo Chain A Binding Site BS02

Receptor Information
>6vwo Chain A (length=383) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAWVVGIDQTLVDIEAKVDDEFIERYGLSAGHSLVIEDDVAEALYQELKQ
KNLITHQFAGGTIGNTMHNYSVLADDRSVLLGVMCSNIEIGSYAYRYLCN
TSSRTDLNYLQGVDGPIGRCFTLIGESGERTFAISPGHMNQLRAESIPED
VIAGASALVLTSYLVRCKPGEPMPEATMKAIEYAKKYNVPVVLTLGTKFV
IAENPQWWQQFLKDHVSILAMNEDEAEALTGESDPLLASDKALDWVDLVL
CTAGPIGLYMAGFTEDEAKRKTQHPLLPGAIAEFNQYEFSRAMRHKDCQN
PLRVYSHIAPYMGGPEKIMNTNGAGDGALAALLHDITANSYHRSNVKFTW
LTYSSLAQVCKYANRVSYQVLNQHSPRLTRGLP
Ligand information
Ligand IDGMP
InChIInChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
InChIKeyNYHBQMYGNKIUIF-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.5c1nc2c(n1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)CO
OpenEye OEToolkits 1.7.5c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3O
FormulaC10 H13 N5 O5
NameGUANOSINE
ChEMBLCHEMBL375655
DrugBankDB02857
ZINCZINC000001550030
PDB chain6vwo Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6vwo ppGpp Coordinates Nucleotide and Amino-Acid Synthesis in E. coli During Starvation.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		Q41 L43 D45 S65 G93 T94 C152 I166 Y195
Binding residue
(residue number reindexed from 1)		Q9 L11 D13 S33 G61 T62 C120 I134 Y163
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.73: inosine kinase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008906 inosine kinase activity
GO:0016301 kinase activity
GO:0016772 transferase activity, transferring phosphorus-containing groups
GO:0097216 guanosine tetraphosphate binding
GO:0106366 guanosine kinase activity
Biological Process
GO:0006166 purine ribonucleoside salvage
GO:0016310 phosphorylation
GO:0032263 GMP salvage
GO:0032264 IMP salvage

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6vwo, PDBe:6vwo, PDBj:6vwo
PDBsum6vwo
PubMed32857952
UniProtP0AEW6|INGK_ECOLI Guanosine-inosine kinase (Gene Name=gsk)

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