Structure of PDB 1fl3 Chain A Binding Site BS01

Receptor Information

>1fl3 Chain A (length=208) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AALLESGGGLVKPGGSLKLSCTASGITFSRYIMSWVRQIPEKRLEWVASI
SSGGITYYPDSVAGRFTISRDNVRNILYLQMSSLRSEDTALYYCARGQGR
PYWGQGTSVTVSAAKTTPPSVYPAAPGCGDTTGSSVTLGCLVKGYFPEPV
TVTWNSGGSSVHTFPALLQSGLYTMSSSVTVPSSTWPSTVTCSVAHPASS
TTVDKKLE

Ligand information

Ligand ID

SPB

InChI

InChI=1S/C19H19NO3/c21-18(7-4-8-19(22)23)20-17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,9-14H,4,7-8H2,(H,20,21)(H,22,23)/b10-9+

InChIKey

FTXJWRRYLLRFMG-MDZDMXLPSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C=Cc2ccc(cc2)NC(=O)CCCC(=O)O
CACTVS 3.341	OC(=O)CCCC(=O)Nc1ccc(cc1)/C=C/c2ccccc2
OpenEye OEToolkits 1.5.0	c1ccc(cc1)\C=C\c2ccc(cc2)NC(=O)CCCC(=O)O
CACTVS 3.341	OC(=O)CCCC(=O)Nc1ccc(cc1)C=Cc2ccccc2
ACDLabs 10.04	O=C(Nc1ccc(cc1)\C=C\c2ccccc2)CCCC(=O)O

Formula

C19 H19 N O3

Name

4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID;
5-OXO-5-({4-[(E)-2-PHENYLVINYL]PHENYL}AMINO)PENTANOIC ACID;
N-(TRANS-4-STILBENYL)-5-AMINO-5-OXO-PENTANOIC ACID

PDB chain

1fl3 Chain A Residue 226 [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	1fl3 Blue-fluorescent antibodies.
Resolution	2.45 Å
Binding residue (original residue number in PDB)	I35 V39 G100 W106
Binding residue (residue number reindexed from 1)	I32 V36 G97 W103
Annotation score	1
Binding affinity	MOAD: Kd=0.16uM

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:1fl3, PDBe:1fl3, PDBj:1fl3
PDBsum	1fl3
PubMed	11030644
UniProt	P01867\|IGG2B_MOUSE Immunoglobulin heavy constant gamma 2B (Gene Name=Ighg2b)

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