Structure of PDB 6wk9 Chain B Binding Site BS01

Receptor Information

>6wk9 Chain B (length=104) Species: 1321778 (Clostridiales bacterium oral taxon 876 str. F0540)

MAWLILIIAGIFEVVWAIALKYSNGFTRLIPSMITLIGMLISFYLLSQAT
KTLPIGTAYAIWTGIGALGAVICGIIFFKEPLTALRIVFMILLLTGIIGL
KATS

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: 6wk9 Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6wk9 The structural basis of promiscuity in small multidrug resistance transporters.
• Resolution: 2.32 Å
• Binding residue (original residue number in PDB): F43 Y44
• Binding residue (residue number reindexed from 1): F43 Y44
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0022857 transmembrane transporter activity

Biological Process

• GO:0055085 transmembrane transport

Cellular Component

• GO:0005886 plasma membrane
• GO:0016020 membrane

External links

• PDB: RCSB:6wk9, PDBe:6wk9, PDBj:6wk9
• PDBsum: 6wk9
• PubMed: 33247110
• UniProt: U2EQ00