Structure of PDB 8i8h Chain A Binding Site BS02

Receptor Information
>8i8h Chain A (length=280) Species: 2001 (Streptosporangium roseum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGILQANRVLLSRLLPGVEPEGLTVRHGQFHQVVIASDRVVCLPRTAAAA
ARLPRRAAVMRVLAGLDLGCRTPRPLCEGSLPFLVLSRVPGAPLEADALE
DSKVAEVVAAQYVTLLSGLASAGADEKVRAALPAPQGRWRQFAADVRAEL
FPLMSDGGCRQAERELAALDSLPDITEAVVHGNLGAENVLWVRDDGLPRL
SGVIDWDEVSIGDPAEDLAAIGAGYGKDFLDQVLTLGGWSDRRMATRIAT
IRATFALQQALSACRDGDEEELADGLTGYR
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain8i8h Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8i8h Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Resolution2.02 Å
Binding residue
(original residue number in PDB)		G28 Q29 F30 H31 P73 R94 I210 D211 D213 E214
Binding residue
(residue number reindexed from 1)		G28 Q29 F30 H31 P73 R88 I204 D205 D207 E208
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.103: viomycin kinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0005525 GTP binding
GO:0016301 kinase activity
GO:0050394 viomycin kinase activity
Biological Process
GO:0016310 phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8i8h, PDBe:8i8h, PDBj:8i8h
PDBsum8i8h
PubMed38114770
UniProtD2B3F1

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