Structure of PDB 6w9g Chain Y Binding Site BS01

Receptor Information

>6w9g Chain Y (length=216) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DIVLTQSPATLSVSPGERATISCRASQRVSSSTYSYMHWYQQKPGQPPKL
LIKYASNLESGVPARFSGSGSGTDFTLTISSVEPEDFATYYCQHSWEWPP
TFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKV
QWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEV
THQGLSSPVTKSFNRG

Ligand information

Ligand ID

TMO

InChI

InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3

InChIKey

UYPYRKYUKCHHIB-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.370 OpenEye OEToolkits 1.7.0	C[N+](C)(C)[O-]
ACDLabs 12.01	[O-][N+](C)(C)C

Formula

C3 H9 N O

Name

trimethylamine oxide

PDB chain

6w9g Chain X Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	6w9g Structural Insights into How Protein Environments Tune the Spectroscopic Properties of a Noncanonical Amino Acid Fluorophore.
Resolution	1.82 Å
Binding residue (original residue number in PDB)	Q42 P44 G45
Binding residue (residue number reindexed from 1)	Q42 P44 G45
Annotation score	1

External links

PDB	RCSB:6w9g, PDBe:6w9g, PDBj:6w9g
PDBsum	6w9g
PubMed	32845612

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