Structure of PDB 5ckx Chain C Binding Site BS01

Receptor Information
>5ckx Chain C (length=78) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIDTLREEIDRLDAEILALVKRRAEVSKAIGKARMASGGTRLVHSREMKV
IERYSELGPDGKDLAILLLRLGRGRLGH
Ligand information
Ligand IDTSA
InChIInChI=1S/C10H12O6/c11-5-1-2-10(9(14)15)3-6(5)16-7(4-10)8(12)13/h1-2,5-7,11H,3-4H2,(H,12,13)(H,14,15)/t5-,6-,7+,10+/m1/s1
InChIKeyKRZHNRULRHECRF-JQCUSGDOSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C1OC2C(O)C=CC(C(=O)O)(C1)C2
CACTVS 3.341O[C@@H]1C=C[C@@]2(C[C@H]1O[C@@H](C2)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C1C2C(C=CC1(CC(O2)C(=O)O)C(=O)O)O
OpenEye OEToolkits 1.5.0C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O
CACTVS 3.341O[CH]1C=C[C]2(C[CH]1O[CH](C2)C(O)=O)C(O)=O
FormulaC10 H12 O6
Name8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID
ChEMBLCHEMBL197577
DrugBankDB08648
ZINCZINC000005851130
PDB chain5ckx Chain C Residue 102 [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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PDB5ckx Remote Control by Inter-Enzyme Allostery: A Novel Paradigm for Regulation of the Shikimate Pathway.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		R35 S39 I42 R46 R58 E59 L81
Binding residue
(residue number reindexed from 1)		R23 S27 I30 R34 R46 E47 L69
Annotation score1
Enzymatic activity
Enzyme Commision number 5.4.99.5: chorismate mutase.
Gene Ontology
Biological Process
GO:0046417 chorismate metabolic process

View graph for
Biological Process
External links
PDB RCSB:5ckx, PDBe:5ckx, PDBj:5ckx
PDBsum5ckx
PubMed26776476
UniProtP9WIC1|CHMU_MYCTU Intracellular chorismate mutase (Gene Name=Rv0948c)

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