Structure of PDB 2ao2 Chain B Binding Site BS01

Receptor Information
>2ao2 Chain B (length=165) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDA
RSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASR
SAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRA
LTTATQSYCQALPPA
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain2ao2 Chain B Residue 1204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ao2 The 2.15 A crystal structure of Mycobacterium tuberculosis chorismate mutase reveals an unexpected gene duplication and suggests a role in host-pathogen interactions.
Resolution2.07 Å
Binding residue
(original residue number in PDB)		K60 R72 Q76
Binding residue
(residue number reindexed from 1)		K26 R38 Q42
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R49 K60 D69 T105 E106 E109 R134
Catalytic site (residue number reindexed from 1) R15 K26 D35 T71 E72 E75 R100
Enzyme Commision number 5.4.99.5: chorismate mutase.
Gene Ontology
Molecular Function
GO:0004106 chorismate mutase activity
GO:0005515 protein binding
GO:0016853 isomerase activity
Biological Process
GO:0009697 salicylic acid biosynthetic process
GO:0046417 chorismate metabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ao2, PDBe:2ao2, PDBj:2ao2
PDBsum2ao2
PubMed16752890
UniProtP9WIB9|SCMU_MYCTU Secreted chorismate mutase (Gene Name=Rv1885c)

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