Structure of PDB 8ybq Chain A Binding Site BS01

Receptor Information

>8ybq Chain A (length=502) Species: 317 (Pseudomonas syringae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GTVRMNAPVFYFAASFILIFGIIVIAFPQASGAWLLAAQNWAANTVGWYY
MMVMTLYLVFVVVTALSGFGKIKLGADHDEPEFSYLSWAGMLFAAGISIT
LFFFCVSEPLTHLLQPPQGEGGTAEAARQGMQLLFLHWGLHGWGVFAFVG
MALAYFAYRHNLPLALRSALYPLIGKRINGPIGYAVDGFGIIATIFGLGA
DMGFGVLHLNSGLDYLFGVPHTQWIQVGLITLMMGAAILVAIAGVDKGVR
VMSDINMLLACALLLFVLFAGPTQHLLNTLVQNIGDYLGALPSKSFDVYA
YNKPSDWLGGWTVFYWAWWIAWAPFVGLFIARISRGRTIREFVFGVLLIP
LGFTLAWMSIFGNSAIDQVLNHGMAALGQSAIDDPSMTLYLLLETYPWSK
TVIAVTVFISFVFFVTSADSGTVVLSTLSAKGGNPDEDGPKWLRVFWGVA
TALITSGLLFSGSIDALKSAVVLTSLPFSLILLLMMWGLHKAFVMESQRQ
IA

Ligand information

Ligand ID

CHT

InChI

InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1

InChIKey

OEYIOHPDSNJKLS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	C[N+](C)(C)CCO
ACDLabs 10.04	OCC[N+](C)(C)C

Formula

C5 H14 N O

Name

CHOLINE ION

PDB chain

8ybq Chain A Residue 701 [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	8ybq Structure and mechanism of the osmoregulated choline transporter BetT.
Resolution	2.59 Å
Binding residue (original residue number in PDB)	G105 W327 W328
Binding residue (residue number reindexed from 1)	G96 W318 W319
Annotation score	4

External links

PDB	RCSB:8ybq, PDBe:8ybq, PDBj:8ybq
PDBsum	8ybq
PubMed	39141726

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