Structure of PDB 3ae5 Chain D Binding Site BS02

Receptor Information

>3ae5 Chain D (length=102) Species: 9823 (Sus scrofa)

SSKAASLHWTGERVVSVLLLGLLPAAYLNPCSAMDYSLAAALTLHGHWGI
GQVVTDYVRGDALQKAAKAGLLALSAFTFAGLCYFNYHDVGICKAVAMLW
KL

Ligand information

• Ligand ID: EPH
• InChI: InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h3,5,8,10-11,13-14,16,18,20,37H,4,6-7,9,12,15,17,19,21-36,40H2,1-2H3,(H,43,44)/b5-3+,10-8+,13-11?,16-14+,20-18+/t37-/m1/s1
• InChIKey: MABRTXOVHMDVAT-AAEGOEIASA-N
• SMILES:
  CACTVS 3.341: CCC/C=C/C/C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCC\C=C\CC\C=C\CC\C=C\C)CO[P@@](O)(=O)OCCN
  ACDLabs 10.04: O=C(OCC(OC(=O)CCCCCCC/C=C/C/C=C/CCC)COP(=O)(OCCN)O)CCCCCC/C=C/CC/C=C/CC/C=C/C
  OpenEye OEToolkits 1.5.0: CCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC=CCCC=CCCC=CC)COP(=O)(O)OCCN
  CACTVS 3.341: CCCC=CCC=CCCCCCCCC(=O)O[CH](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P](O)(=O)OCCN
  OpenEye OEToolkits 1.5.0: CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN
• Formula: C39 H68 N O8 P
• Name: L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE
• DrugBank: DB03047
• PDB chain: 3ae5 Chain D Residue 1306

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ae5 Crystal structure of porcine heart mitochondrial complex II bound with 2-Methyl-N-(3-isopropoxy-phenyl)-benzamide
• Resolution: 3.41 Å
• Binding residue (original residue number in PDB): A60 Y61 V130 W134
• Binding residue (residue number reindexed from 1): A26 Y27 V96 W100
• Annotation score: 1

Gene Ontology

Cellular Component

• GO:0005740 mitochondrial envelope
• GO:0016020 membrane

External links

• PDB: RCSB:3ae5, PDBe:3ae5, PDBj:3ae5
• PDBsum: 3ae5
• UniProt: A5GZW8|DHSD_PIG Succinate dehydrogenase [ubiquinone] cytochrome b small subunit, mitochondrial (Gene Name=SDHD)