Structure of PDB 3fav Chain B Binding Site BS01

Receptor Information
>3fav Chain B (length=72) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIEAAASAIQGNVTSIHSLLDEGKQSLTKLAAAWGGSGSEAYQGVQQKWD
ATATELNNALQNLARTISEAGQ
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3fav Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fav WXG100 protein superfamily consists of three subfamilies and exhibits an alpha-helical C-terminal conserved residue pattern.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		H26 D30
Binding residue
(residue number reindexed from 1)		H17 D21
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0042803 protein homodimerization activity
GO:0046812 host cell surface binding
Biological Process
GO:0044315 protein secretion by the type VII secretion system
GO:0052027 symbiont-mediated perturbation of host signal transduction pathway
GO:0052085 symbiont-mediated suppression of host T-cell mediated immune response
Cellular Component
GO:0005576 extracellular region
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall
GO:0016020 membrane
GO:0020002 host cell plasma membrane
GO:0030430 host cell cytoplasm
GO:0044165 host cell endoplasmic reticulum
GO:0044228 host cell surface

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3fav, PDBe:3fav, PDBj:3fav
PDBsum3fav
PubMed24586681
UniProtP9WNK7|ESXA_MYCTU 6 kDa early secretory antigenic target (Gene Name=esxA)

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