Structure of PDB 2jax Chain A Binding Site BS01

Receptor Information
>2jax Chain A (length=261) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LGIIVGIDDSPAAQVAVRWAARDAELRKIPLTLVHAVSRWQQDHGRHLID
DALKVVEQASLRAGPPTVHSEIVPAAAVPTLVDMSKDAVLMVVGCLGSGR
WPGRLLGSVSSGLLRHAHCPVVIIHDAPVLVGVDGSSASELATAIAFDEA
SRRNVDLVALHAWSDVDVSEWPGIDWPATQSMAEQVLAERLAGWQERYPN
VAITRVVVRDQPARQLVQRSEEAQLVVVGSRGRGGYAGMLVGSVGETVAQ
LARTPVIVARE
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 chain2jax Chain A Residue 1295 [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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PDB2jax Crystal Structure of Universal Stress Protein Rv2623 from Mycobacterium Tuberculosis
Resolution3.22 Å
Binding residue
(original residue number in PDB)		G165 V166 D167 A195 P245 V261 G262 R264 G265 G267 G268 M272 G275 S276 V277
Binding residue
(residue number reindexed from 1)		G132 V133 D134 A162 P212 V228 G229 R231 G232 G234 G235 M239 G242 S243 V244
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0001666 response to hypoxia
GO:0040008 regulation of growth
GO:0085014 dormancy entry of symbiont in host
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2jax, PDBe:2jax, PDBj:2jax
PDBsum2jax
PubMed
UniProtP9WFD7|Y2623_MYCTU Universal stress protein Rv2623 (Gene Name=Rv2623)

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