Structure of PDB 6wl5 Chain D Binding Site BS01

Receptor Information

>6wl5 Chain D (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 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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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 E173 Y174 K175 L219 Y223 P241
Binding residue (residue number reindexed from 1)	Y58 D60 E62 Y63 K64 L108 Y112 P130
Annotation score	1

External links

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

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