Structure of PDB 6wl5 Chain B Binding Site BS02

Receptor Information

>6wl5 Chain B (length=158) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MLYQAALKEIPECIVYSKRFIVPDFSSYIKLIPPIGQEVMKANPGLTLTT
PAYCFTLYHDKEYKEKNMDVEFCEAVNDFGKNEGNIIFQVIPAITAVTVI
HKGPYDSLRNAYIYLMQWVEDNGYLLTNSPRESYIDGIWNKQDSAEWMTE
IQFPVEKV

Ligand information

Ligand ID

16A

InChI

InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1

InChIKey

RLGQACBPNDBWTB-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	C(CCCC[N+](C)(C)C)CCCCCCCCCCC
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCC[N+](C)(C)C

Formula

C19 H42 N

Name

CETYL-TRIMETHYL-AMMONIUM

PDB chain

6wl5 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6wl5 Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Resolution	1.4 Å
Binding residue (original residue number in PDB)	Y169 D171 Y174 K175 M179 L219 Y223
Binding residue (residue number reindexed from 1)	Y58 D60 Y63 K64 M68 L108 Y112
Annotation score	1

External links

PDB	RCSB:6wl5, PDBe:6wl5, PDBj:6wl5
PDBsum	6wl5
PubMed	33976201

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