Structure of PDB 6vwp Chain E Binding Site BS02

Receptor Information
>6vwp Chain E (length=422) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMKFPGKRKSKHYFPVNARDPLLQETSAAWVVGIDQTLVDIEAKVDDEFI
ERYGLSAGHSLVIEDDVAEALYQELKQKNLITHQFAGGTIGNTMHNYSVL
ADDRSVLLGVMCSNIEIGSYAYRYLCNTSSRTDLNYLQGVDGPIGRCFTL
IGESGERTFAISPGHMNQLRAESIPEDVIAGASALVLTSYLVRCKPGEPM
PEATMKAIEYAKKYNVPVVLTLGTKFVIAENPQWWQQFLKDHVSILAMNE
DEAEALTGESDPLLASDKALDWVDLVLCTAGPIGLYMAGFTEDEAKRKTQ
HPLLPGAIAEFNQYEFSRAMRHKDCQNPLRVYSHIAPYMGTNGAGDGALA
ALLHDITANSYHRSNVPNSSKHKFTWLTYSSLAQVCKYANRVSYQVLNQH
SPRLTRGLPEREDSLEESYWDR
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 E Residue 502 [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)		Q41 L43 D45 G93 T94 N97 F164 Y195 R198 N354
Binding residue
(residue number reindexed from 1)		Q36 L38 D40 G88 T89 N92 F159 Y190 R193 N342
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

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Molecular Function
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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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