Structure of PDB 2z93 Chain C Binding Site BS01

Receptor Information

>2z93 Chain C (length=201) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QLLESGPDLVKPSQSLSLTCTVTGYSITSGYNWHWIRQFPGNKLEWMGYI
HYRGTTNYNTSLKSRISITRDSSKNQFFLQLNSVTTEDTATYYCACDDFY
SDYWGQGTIVTVSSAKTTPPSVYPLAPTLGCLVKGYFPEPVTVTWNSGSL
SSGVHTFPAVLQSDLYTLSSSVTVTWPSETVTCNVAHPASSTKVDKKIVP
R

Ligand information

Ligand ID

END

InChI

InChI=1S/C17H24O7/c18-8-14-9(19)4-5-10-12(23-14)7-13-17(24-10)15(20)16-11(22-13)3-1-2-6-21-16/h1-2,4-5,9-20H,3,6-8H2/t9-,10+,11-,12-,13+,14+,15+,16-,17+/m0/s1

InChIKey

VJZKPEAYONAPBB-MRBBLFKKSA-N

SMILES

Software	SMILES
CACTVS 3.341	OC[CH]1O[CH]2C[CH]3O[CH]4CC=CCO[CH]4[CH](O)[CH]3O[CH]2C=C[CH]1O
OpenEye OEToolkits 1.5.0	C1C=CCO[C@H]2[C@H]1O[C@@H]3C[C@H]4[C@@H](C=C[C@@H]([C@H](O4)CO)O)O[C@H]3[C@@H]2O
CACTVS 3.341	OC[C@H]1O[C@H]2C[C@H]3O[C@H]4CC=CCO[C@@H]4[C@@H](O)[C@@H]3O[C@@H]2C=C[C@@H]1O
OpenEye OEToolkits 1.5.0	C1C=CCOC2C1OC3CC4C(C=CC(C(O4)CO)O)OC3C2O
ACDLabs 10.04	O2C(C(O)C=CC3OC1C(O)C4OCC=CCC4OC1CC23)CO

Formula

C17 H24 O7

Name

1,6:5,9:8,12:11,16-TETRAANHYDRO-2,3,4,10,13,14-HEXADEOXY-D-GLYCERO-D-ALLO-D-GULO-HEPTADECA-2,13-DIENITOL

PDB chain

2z93 Chain C Residue 1 [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	2z93 How Protein Recognizes Ladder-like Polycyclic Ethers: INTERACTIONS BETWEEN CIGUATOXIN (CTX3C) FRAGMENTS AND ITS SPECIFIC ANTIBODY 10C9
Resolution	2.4 Å
Binding residue (original residue number in PDB)	H35A W47 N58 D95 W103
Binding residue (residue number reindexed from 1)	H34 W46 N57 D97 W104
Annotation score	1
Binding affinity	MOAD: Kd=11.1nM

External links

PDB	RCSB:2z93, PDBe:2z93, PDBj:2z93
PDBsum	2z93
PubMed	18463096

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