Structure of PDB 6cxh Chain C Binding Site BS01

Receptor Information

>6cxh Chain C (length=101) Species: 1091494 (Methylotuvimicrobium alcaliphilum 20Z)

KVMSITPREELRRHFTHWTWLMMYGIAIYFGASIITGGASFLYAKTRLPT
YQQGLSLQYLVVVVGPFMIGFVFFGWSALGVLGVINIELGALSKLLKKDL
A

Ligand information

• Ligand ID: CM5
• InChI: InChI=1S/C23H42O11/c24-11-14-16(26)17(27)19(29)23(32-14)34-21-15(12-25)33-22(20(30)18(21)28)31-10-6-2-5-9-13-7-3-1-4-8-13/h13-30H,1-12H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1
• InChIKey: RVTGFZGNOSKUDA-ZNGNCRBCSA-N
• SMILES:
  ACDLabs 10.04: O(CCCCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
  OpenEye OEToolkits 1.5.0: C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCCCCC3CCCCC3)O[CH]2CO)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCC3CCCCC3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C1CCC(CC1)CCCCCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O
• Formula: C23 H42 O11
• Name: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE;
  5-CYCLOHEXYLPENTYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE;
  CYMAL-5
• DrugBank: DB04664
• ZINC: ZINC000014881288
• PDB chain: 6cxh Chain C Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6cxh From micelles to bicelles: Effect of the membrane on particulate methane monooxygenase activity.
• Resolution: 2.704 Å
• Binding residue (original residue number in PDB): F104 M111
• Binding residue (residue number reindexed from 1): F15 M22
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.14.13.25: methane monooxygenase (soluble).

Gene Ontology

Molecular Function

• GO:0004497 monooxygenase activity
• GO:0015049 methane monooxygenase [NAD(P)H] activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:6cxh, PDBe:6cxh, PDBj:6cxh
• PDBsum: 6cxh
• PubMed: 29739854
• UniProt: G4SZ62