Structure of PDB 35c8 Chain H Binding Site BS01

Receptor Information

>35c8 Chain H (length=217) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EVQLQQSGAELVKPGASVKLSCTASGFNIKDTYMHWVKQKPEQGLEWIAQ
IDPANGNTKYDPKFQGKATITADTSSNTAYLHLSSLTSEDSAVYYCAADP
PYYGHGDYWGQGTTLTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKG
YFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVT
CNVAHPASSTKVDKKIV

Ligand information

Ligand ID

NOX

InChI

InChI=1S/C18H26N2O4/c21-17(5-4-6-18(22)23)19-16-9-7-15(8-10-16)11-14-20(24)12-2-1-3-13-20/h7-10H,1-6,11-14H2,(H,19,21)(H,22,23)

InChIKey

RKJXWOJUCCBWSC-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(ccc1CC[N+]2(CCCCC2)[O-])NC(=O)CCCC(=O)O
CACTVS 3.341	OC(=O)CCCC(=O)Nc1ccc(CC[N+]2([O-])CCCCC2)cc1
ACDLabs 10.04	[O-][N+]2(CCc1ccc(NC(=O)CCCC(=O)O)cc1)CCCCC2

Formula

C18 H26 N2 O4

Name

N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE

PDB chain

35c8 Chain L Residue 212 [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	35c8 Structural basis for antibody catalysis of a disfavored ring closure reaction.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	H35 D95 P96 G100 H100A G100B D101
Binding residue (residue number reindexed from 1)	H35 D99 P100 G104 H105 G106 D107
Annotation score	1

External links

PDB	RCSB:35c8, PDBe:35c8, PDBj:35c8
PDBsum	35c8
PubMed	10353817

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