Structure of PDB 7sgm Chain M Binding Site BS01

Receptor Information

>7sgm Chain M (length=217) 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
THQGLSSPVTKSFNRGE

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

7sgm Chain M 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	7sgm Structural Basis for Blocked Excited State Proton Transfer in a Fluorescent, Photoacidic Non-Canonical Amino Acid-Containing Antibody Fragment.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	T33 Y34
Binding residue (residue number reindexed from 1)	T33 Y34
Annotation score	1

External links

PDB	RCSB:7sgm, PDBe:7sgm, PDBj:7sgm
PDBsum	7sgm
PubMed	35033559

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