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Structure of PDB 2x00 Chain C Binding Site BS01

Receptor Information >2x00 Chain C (length=213) Species: 6500 (Aplysia californica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] DDDDKLHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKAD SSTNEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYS STRPVQVLSPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKF GSWVYSGFEIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEP YIDVNLVVKFRER

Ligand information Ligand ID GYN InChI InChI=1S/C32H47NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17,21-22,24,26-28,30,34H,6-7,9-16,18H2,1-5H3/b19-8+,20-17+/t21-,22+,24+,26+,27+,28+,30+,32+/m1/s1 InChIKey LFQBHRXYGKMZFS-XGHAUHBHSA-N SMILES Software SMILES ACDLabs 10.04 O=C5OC(C3=C(C2C=C(C(O)CCC4OC(C(=CCCC1=NCCCC12CC3)C)C(C)C4)C)C)CC5C CACTVS 3.352 C[C@@H]1C[C@@H]2CC[C@H](O)C(=C/[C@H]3C(=C(CC[C@@]34CCCN=C4CC/C=C(C)/[C@@H]1O2)[C@@H]5C[C@H](C)C(=O)O5)C)/C OpenEye OEToolkits 1.6.1 CC1CC2CCC(C(=CC3C(=C(CCC34CCCN=C4CCC=C(C1O2)C)C5CC(C(=O)O5)C)C)C)O OpenEye OEToolkits 1.6.1 C[C@@H]1C[C@@H]2CC[C@@H](/C(=C/[C@H]3C(=C(CC[C@@]34CCCN=C4CC\C=C(\[C@@H]1O2)/C)[C@@H]5C[C@@H](C(=O)O5)C)C)/C)O CACTVS 3.352 C[CH]1C[CH]2CC[CH](O)C(=C[CH]3C(=C(CC[C]34CCCN=C4CCC=C(C)[CH]1O2)[CH]5C[CH](C)C(=O)O5)C)C Formula C32 H47 N O4 Name GYMNODIMINE A ChEMBL DrugBank ZINC ZINC000082874037 PDB chain 2x00 Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 2x00 Structural Determinants in Phycotoxins and Achbp Conferring High Affinity Binding and Nicotinic Achr Antagonism. Resolution 2.4 Å Binding residue (original residue number in PDB) Y93 K143 W147 Y188 C190 Y195 Binding residue (residue number reindexed from 1) Y99 K149 W153 Y194 C196 Y201 Annotation score 1 Binding affinity MOAD: Kd=0.0047nM

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0004888 transmembrane signaling receptor activity GO:0005216 monoatomic ion channel activity GO:0005230 extracellular ligand-gated monoatomic ion channel activity

	Biological Process
GO:0006811	monoatomic ion transport
GO:0034220	monoatomic ion transmembrane transport

	Cellular Component
GO:0016020	membrane

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