Structure of PDB 1lo0 Chain H Binding Site BS01

Receptor Information
>1lo0 Chain H (length=220) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVKLVESGGGLVKPGGSLKLSCAASGFSFRNYGMSWVRQTPEKRLEWVAS
ISYGGLIYYPDSIKGRFTISRDIAQNILYLQMSSLRSEDTAMYHCIRGDS
FLVWFTFWGQGTLVTVSAAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGY
FPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITC
NVAHPASSTQVDKKIEPRGP
Ligand information
Ligand IDBC1
InChIInChI=1S/C19H17N3O3/c1-22-15-8-4-2-6-13(15)19(12-20,14-7-3-5-9-16(14)22)18(25)21-11-10-17(23)24/h2-9H,10-11H2,1H3,(H,21,25)(H,23,24)
InChIKeyFRBAOMHMZCGBOJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN1c2ccccc2C(c3c1cccc3)(C#N)C(=O)NCCC(=O)O
ACDLabs 10.04O=C(O)CCNC(=O)C3(C#N)c1c(cccc1)N(c2c3cccc2)C
CACTVS 3.341CN1c2ccccc2C(C#N)(C(=O)NCCC(O)=O)c3ccccc13
FormulaC19 H17 N3 O3
Name3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID
ChEMBL
DrugBankDB07441
ZINCZINC000002047786
PDB chain1lo0 Chain H Residue 501 [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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PDB1lo0 A structural basis for the activity of retro-Diels-Alder catalytic antibodies: evidence for a catalytic aromatic residue.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G33 S50 I51 S52 L59 Y61 G101 D102 S103 F104 V104B W105
Binding residue
(residue number reindexed from 1)		G33 S50 I51 S52 L56 Y58 G98 D99 S100 F101 V103 W104
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1lo0, PDBe:1lo0, PDBj:1lo0
PDBsum1lo0
PubMed12093912
UniProtP01865|GCAM_MOUSE Immunoglobulin heavy constant gamma 2A (Gene Name=Ighg2a)

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