Structure of PDB 7xma Chain J Binding Site BS01

Receptor Information

>7xma Chain J (length=57) Species: 9913 (Bos taurus)

FENRVAEKQKLFQEDNGLPVHLKGGATDNILYRVTMTLCLGGTLYSLYCL
GWASFPH

Ligand information

• Ligand ID: DMU
• InChI: InChI=1S/C22H42O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13-29H,2-12H2,1H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1
• InChIKey: WOQQAWHSKSSAGF-WXFJLFHKSA-N
• SMILES:
  CACTVS 3.370: CCCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
  ACDLabs 12.01: O(CCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
  OpenEye OEToolkits 1.7.6: CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
  OpenEye OEToolkits 1.7.6: CCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
  CACTVS 3.370: CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
• Formula: C22 H42 O11
• Name: DECYL-BETA-D-MALTOPYRANOSIDE;
  DECYLMALTOSIDE
• ZINC: ZINC000085482724
• PDB chain: 7xma Chain J Residue 101

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7xma Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): S46 Y48 C49 L50 W52
• Binding residue (residue number reindexed from 1): S46 Y48 C49 L50 W52
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0006123 mitochondrial electron transport, cytochrome c to oxygen

Cellular Component

• GO:0045277 respiratory chain complex IV

External links

• PDB: RCSB:7xma, PDBe:7xma, PDBj:7xma
• PDBsum: 7xma
• PubMed: 36481732
• UniProt: P07470|CX7A1_BOVIN Cytochrome c oxidase subunit 7A1, mitochondrial (Gene Name=COX7A1)