Structure of PDB 1ynl Chain H Binding Site BS01

Receptor Information

>1ynl Chain H (length=219) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RVQLLESGAELMKPGASVQISCKATGYTFSFYWIEWVKERPGHGLEWIGE
ILPGSGRTNYREKFKGKATFTADTSSNTAYMQLSSLTSEDSAVYYCTRGY
SSMDYWGQGTSVTVSAAKTTPPSVYPLAPGCGDTTGSSVTLGCLVKGYFP
ESVTVTWNSGSLSSSVHTFPALLQSGLYTMSSSVTVPSSTWPSQTVTCSV
AHPASSTTVDKKLEPSGPI

Ligand information

Ligand ID

NES

InChI

InChI=1S/C6H15NO6S/c8-3-6(4-9,5-10)7-1-2-14(11,12)13/h7-10H,1-5H2,(H,11,12,13)

InChIKey

JOCBASBOOFNAJA-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=S(=O)(O)CCNC(CO)(CO)CO
OpenEye OEToolkits 1.5.0	C(CS(=O)(=O)O)NC(CO)(CO)CO
CACTVS 3.341	OCC(CO)(CO)NCC[S](O)(=O)=O

Formula

C6 H15 N O6 S

Name

2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID

PDB chain

1ynl Chain L Residue 501 [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	1ynl Cocrystal Structures of NC6.8 Fab Identify Key Interactions for High Potency Sweetener Recognition: Implications for the Design of Synthetic Sweeteners
Resolution	1.7 Å
Binding residue (original residue number in PDB)	Y96 S97 S98
Binding residue (residue number reindexed from 1)	Y100 S101 S102
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:1ynl, PDBe:1ynl, PDBj:1ynl
PDBsum	1ynl
PubMed	16026161
UniProt	Q6PJB2

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