Structure of PDB 4fbz Chain A Binding Site BS03

Receptor Information

>4fbz Chain A (length=238) Species: 121872 (Natrinema thermotolerans)

MAATVGPESIWLWIGTIGMTLGTLYFVGRGRGVRDRKMQEFYIITTFITT
IAAAMYFAMATGFGVTEVVVGDEALTIYWARYADWLFTTPLLLLDLGLLA
GANRNTIATLIGLDVFMIGTGMIAAFAATPGTRIAWWGISTGALLALLYV
LVGTLSKDARGQSPEVASLFGRLRNLVIVLWLLYPVVWILGTEGTFGILP
LYWETAAFMVLDLSAKVGFGVVLLRSRSVLRRVVTPTA

Ligand information

• Ligand ID: SQL
• InChI: InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
• InChIKey: YYGNTYWPHWGJRM-AAJYLUCBSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
  ACDLabs 12.01: C(=C/CC/C(=C/CCC(=C/CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)/C)C)(\C)C
  OpenEye OEToolkits 1.7.6: CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C
  CACTVS 3.370: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(C)\CCC=C(C)C
  CACTVS 3.370: CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C
• Formula: C30 H50
• Name: (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;
  squalene
• ChEMBL: CHEMBL458402
• DrugBank: DB11460
• ZINC: ZINC000006845904
• PDB chain: 4fbz Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4fbz Crystal structure of deltarhodopsin-3 from Haloterrigena thermotolerans
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): R104 A108 V115 M122
• Binding residue (residue number reindexed from 1): R104 A108 V115 M122
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005216 monoatomic ion channel activity
• GO:0009881 photoreceptor activity

Biological Process

• GO:0006811 monoatomic ion transport
• GO:0007602 phototransduction
• GO:0034220 monoatomic ion transmembrane transport

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:4fbz, PDBe:4fbz, PDBj:4fbz
• PDBsum: 4fbz
• PubMed: 23625688
• UniProt: I4DST7