Structure of PDB 1uwg Chain L Binding Site BS01

Receptor Information

>1uwg Chain L (length=213) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ELVMTQSPKFMSTSVGDRVSVTCKASQNVGTHVAWYQQKPGQSPKTLIYS
ASYRYSGVPDRFTGSGSGTDFTLTIRDVQSEDAAEYFCQQYNLFPVTFGG
GTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAAVAWKV
DNALQSGNSQESVTEQDSADSTYSLSSTLTLSKADYEKHKVYACEVTHQG
LSSPVTKSFNRGE

Ligand information

Ligand ID

KHA

InChI

InChI=1S/C16H24N2O2/c1-18(10-3-2-4-11-18)13-14-5-7-15(8-6-14)16(20)17-9-12-19/h5-8,19H,2-4,9-13H2,1H3/p+1

InChIKey

ICCNPEHLFRGOTO-UHFFFAOYSA-O

SMILES

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	C[N+]1(CCCCC1)Cc2ccc(cc2)C(=O)NCCO
ACDLabs 10.04	O=C(NCCO)c1ccc(cc1)C[N+]2(CCCCC2)C

Formula

C16 H25 N2 O2

Name

1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-1-METHYLPIPERIDINIUM

PDB chain

1uwg Chain H Residue 1215 [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	1uwg Molecular Mechanism of Enantioselective Proton Transfer to Carbon in Catalytic Antibody 14D9
Resolution	2.79 Å
Binding residue (original residue number in PDB)	Y91 F94
Binding residue (residue number reindexed from 1)	Y91 F94
Annotation score	1

External links

PDB	RCSB:1uwg, PDBe:1uwg, PDBj:1uwg
PDBsum	1uwg
PubMed	14988504

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