Structure of PDB 6vwo Chain A Binding Site BS01

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 IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain6vwo Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6vwo ppGpp Coordinates Nucleotide and Amino-Acid Synthesis in E. coli During Starvation.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		N254 T284 G286 G289 L290 M344 I350 A356 G357 S405 L409
Binding residue
(residue number reindexed from 1)		N222 T252 G254 G257 L258 M312 I318 A324 G325 S367 L371
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
View graph for
Biological Process
External links
PDB RCSB:6vwo, PDBe:6vwo, PDBj:6vwo
PDBsum6vwo
PubMed32857952
UniProtP0AEW6|INGK_ECOLI Guanosine-inosine kinase (Gene Name=gsk)

[Back to BioLiP]