Structure of PDB 1etz Chain H Binding Site BS01

Receptor Information

>1etz Chain H (length=228) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QVTLKESGPGILQPSQTLSLTCSFSGFSLSTSGMGVGWIRQPSGEGLEWL
ADIWWNDKKYYNPSLKSRLTVSKDTSSNQVFLKITSVDTSDTATYHCARR
TFSYYYGSSFYYFDNWGQGTTLTVSSAKTTPPSVYPLAPGCGDTTGSSVT
LGCLVKGYFPESVTVTWNSGSLSSSVHTFPALLQSGLYTMSSSVTVPSST
WPSQTVTCSVAHPASSTTVDKKLEPSGP

Ligand information

Ligand ID

GAS

InChI

InChI=1S/C23H20N4O2/c24-15-17-11-13-20(14-12-17)26-23(25-16-21(28)29)27-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,16H2,(H,28,29)(H2,25,26,27)

InChIKey

KGHMYJFHUHFOGL-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C(c2ccccc2)NC(=NCC(=O)O)Nc3ccc(cc3)C#N
ACDLabs 10.04	N#Cc3ccc(N/C(=N/CC(=O)O)NC(c1ccccc1)c2ccccc2)cc3
CACTVS 3.341	OC(=O)CN=C(NC(c1ccccc1)c2ccccc2)Nc3ccc(cc3)C#N

Formula

C23 H20 N4 O2

Name

N-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID

PDB chain

1etz Chain H Residue 229 [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	1etz The three-dimensional structure of a complex of a murine Fab (NC10. 14) with a potent sweetener (NC174): an illustration of structural diversity in antigen recognition by immunoglobulins.
Resolution	2.6 Å
Binding residue (original residue number in PDB)	K58 Y60 R100 F102 Y104 Y111
Binding residue (residue number reindexed from 1)	K58 Y60 R100 F102 Y104 Y111
Annotation score	1
Binding affinity	PDBbind-CN: -logKd/Ki=7.24,Kd=58nM

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:1etz, PDBe:1etz, PDBj:1etz
PDBsum	1etz
PubMed	10993728
UniProt	P01867\|IGG2B_MOUSE Immunoglobulin heavy constant gamma 2B (Gene Name=Ighg2b)

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