Structure of PDB 6w9g Chain Y Binding Site BS02
Receptor Information
>6w9g Chain Y (length=216) Species:
9606
(Homo sapiens) [
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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
ChEMBL
DrugBank
ZINC
ZINC000000895494
PDB chain
6w9g Chain Y Residue 304 [
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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)
T33 Y34 S35
Binding residue
(residue number reindexed from 1)
T33 Y34 S35
Annotation score
1
External links
PDB
RCSB:6w9g
,
PDBe:6w9g
,
PDBj:6w9g
PDBsum
6w9g
PubMed
32845612
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