Structure of PDB 2ntf Chain B Binding Site BS01

Receptor Information
>2ntf Chain B (length=222) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVQLQQSGSELVRPGASVKLSCKASGYTFTTYWIHWVKQRPGQGLEWIGT
IYPGSDNTYYDEKFKNKATLTVDTSSSTAFMQLSSLTSEDSAVYFCTRGS
LYYNNYGWFGYWGQGTLVTVSAAKTTPPSVYPLAPGSNAASQSMVTLGCL
VKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLTSSVTVPSSTWPSQ
TVTCNVAHPASSTKVDKKIVPR
Ligand information
Ligand IDOHM
InChIInChI=1S/C16H28N2O3/c1-2-3-4-5-6-7-8-9-13(19)12-15(20)18-14-10-11-17-16(14)21/h14H,2-12H2,1H3,(H,17,21)(H,18,20)/t14-/m0/s1
InChIKeyVEYZCVBECUYIJZ-AWEZNQCLSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1NCCC1NC(=O)CC(=O)CCCCCCCCC
CACTVS 3.341CCCCCCCCCC(=O)CC(=O)N[CH]1CCNC1=O
OpenEye OEToolkits 1.5.0CCCCCCCCCC(=O)CC(=O)NC1CCNC1=O
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O
FormulaC16 H28 N2 O3
Name3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE
ChEMBLCHEMBL1234965
DrugBankDB08323
ZINCZINC000053683081
PDB chain2ntf Chain B Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2ntf Crystal Structures of a Quorum-quenching Antibody.
Resolution3.18 Å
Binding residue
(original residue number in PDB)		W33 H35 G95 S96 N100A G100C W100D F100E
Binding residue
(residue number reindexed from 1)		W33 H35 G99 S100 N105 G107 W108 F109
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links