Structure of PDB 5d1w Chain D Binding Site BS01

Receptor Information
>5d1w Chain D (length=196) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IPYAEASRALLRDSVLDAMRDLLLTRDWSAITLSDVARAAGISRQTIYNE
FGSRQGLAQGYALRLADRLVDNVHASLDANVGNFYEAFLQGFRSFFAESA
ADPLVISLLTGVAKPDLLQLITTDSAPIITRASARLAPAFTDTWVATTDN
DANVLSRAIVRLCLSYVSMPPEADHDVAADLARLITPFAERHGVIN
Ligand information
Ligand IDPLM
InChIInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKeyIPCSVZSSVZVIGE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)O
ACDLabs 10.04O=C(O)CCCCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(O)=O
FormulaC16 H32 O2
NamePALMITIC ACID
ChEMBLCHEMBL82293
DrugBankDB03796
ZINCZINC000006072466
PDB chain5d1w Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5d1w Structural Basis for the Regulation of the MmpL Transporters of Mycobacterium tuberculosis.
Resolution3.59 Å
Binding residue
(original residue number in PDB)		V86 G104 F105 L117 C176
Binding residue
(residue number reindexed from 1)		V73 G91 F92 L104 C163
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000976 transcription cis-regulatory region binding
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5d1w, PDBe:5d1w, PDBj:5d1w
PDBsum5d1w
PubMed26396194
UniProtO05892|ALKX_MYCTU HTH-type transcriptional regulator AlkX (Gene Name=alkX)

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