Structure of PDB 6vwp Chain D Binding Site BS03

Receptor Information
>6vwp Chain D (length=435) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMKFPGKRKSKHYFPVNARDPLLQQFQPENETSAAWVVGIDQTLVDIEAK
VDDEFIERYGLSAGHSLVIEDDVAEALYQELKQKNLITHQFAGGTIGNTM
HNYSVLADDRSVLLGVMCSNIEIGSYAYRYLCNTSSRTDLNYLQGVDGPI
GRCFTLIGESGERTFAISPGHMNQLRAESIPEDVIAGASALVLTSYLVRC
KPGEPMPEATMKAIEYAKKYNVPVVLTLGTKFVIAENPQWWQQFLKDHVS
ILAMNEDEAEALTGESDPLLASDKALDWVDLVLCTAGPIGLYMAGFTEDE
AKRKTQHPLLPGAIAEFNQYEFSRAMRHKDCQNPLRVYSHIAPYMGGPEK
IMNTNGAGDGALAALLHDITANSYHRSNVPNSSKHKFTWLTYSSLAQVCK
YANRVSYQVLNQHSPRLTRGLPEREDSLEESYWDR
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 chain6vwp Chain D Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6vwp ppGpp Coordinates Nucleotide and Amino-Acid Synthesis in E. coli During Starvation.
Resolution3.45 Å
Binding residue
(original residue number in PDB)		D276 V278 H327
Binding residue
(residue number reindexed from 1)		D277 V279 H328
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:6vwp, PDBe:6vwp, PDBj:6vwp
PDBsum6vwp
PubMed32857952
UniProtP0AEW6|INGK_ECOLI Guanosine-inosine kinase (Gene Name=gsk)

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