Structure of PDB 2jax Chain A Binding Site BS02

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 1296 [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)		G13 I14 D15 A20 H42 A43 A100 V116 G117 G120 S121 R123 R127 G130 S131 V132
Binding residue
(residue number reindexed from 1)		G6 I7 D8 A13 H35 A36 A77 V93 G94 G97 S98 R100 R104 G107 S108 V109
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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