Structure of PDB 2m3g Chain A Binding Site BS01

Receptor Information

>2m3g Chain A (length=229) Species: 103690 (Nostoc sp. PCC 7120 = FACHB-418)

MNLESLLHWIYVAGMTIGALHFWSLSRNPRGVPQYEYLVAMFIPIWSGLA
YMAMAIDQGKVEAAGQIAHYARYIDWMVTTPLLLLSLSWTAMQFIKKDWT
LIGFLMSTQIVVITSGLIADLSERDWVRYLWYICGVCAFLIILWGIWNPL
RAKTRTQSSELANLYDKLVTYFTVLWIGYPIVWIIGPSGFGWINQTIDTF
LFCLLPFFSKVGFSFLDLHGLRNLNDSRQ

Ligand information

• Ligand ID: RET
• InChI: InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
• InChIKey: NCYCYZXNIZJOKI-OVSJKPMPSA-N
• SMILES:
  CACTVS 3.370: CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
  ACDLabs 12.01: O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C
  OpenEye OEToolkits 1.7.0: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C
  OpenEye OEToolkits 1.7.0: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C
  CACTVS 3.370: CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
• Formula: C20 H28 O
• Name: RETINAL
• ChEMBL: CHEMBL81379
• ZINC: ZINC000004228262
• PDB chain: 2m3g Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2m3g Solid-state NMR spectroscopy structure determination of a lipid-embedded heptahelical membrane protein.
• Resolution: N/A
• Binding residue (original residue number in PDB): T80 G116 G135 V136 W176 Y179 K210
• Binding residue (residue number reindexed from 1): T80 G116 G135 V136 W176 Y179 K210
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0005216 monoatomic ion channel activity

Biological Process

• GO:0006811 monoatomic ion transport

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:2m3g, PDBe:2m3g, PDBj:2m3g
• PDBsum: 2m3g
• PubMed: 24013819
• UniProt: Q8YSC4