Structure of PDB 6cxh Chain A Binding Site BS02

Receptor Information
>6cxh Chain A (length=382) Species: 1091494 (Methylotuvimicrobium alcaliphilum 20Z) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HGEKSQAAFMRMRTIHWFDLNWSKDQVSVNETMSISGKFHVFAGWPETVD
KPEVAFLNIGIPGPVFIRAGSWIGGQLVPRSVSLELGETYEFKVLLKARR
PGDWHVHTMMNVQGGGPIIGPGKWVTITGSMGDFKNPITTLTGETIDLET
YALDGVYGWHLFWYLLGVAWMVYWCRKPVFIPRRIAVDAGKADSLITPTD
KKVGMAFAAGTLAIVAVSMGQANEKYPVTTPLQAGLMRGIKSLELPQPTV
SVKVVDASYRVPGRAMQMTLEITNNGDSAVRLAEFNTASVRFLDADVYED
DTNYPDDLLAEEGLSVSDNSPLAPGETRTVDVTASDAAWEVYRLADLIYD
PDSRFAGLLFFIDEDGNRQMTMVDAPLIPTFI
Ligand information
Ligand IDCM5
InChIInChI=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
InChIKeyRVTGFZGNOSKUDA-ZNGNCRBCSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(CCCCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
OpenEye OEToolkits 1.5.0C1CCC(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 3.341OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCCCCC3CCCCC3)O[CH]2CO)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[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 1.5.0C1CCC(CC1)CCCCCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O
FormulaC23 H42 O11
Name5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE;
5-CYCLOHEXYLPENTYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE;
CYMAL-5
ChEMBL
DrugBankDB04664
ZINCZINC000014881288
PDB chain6cxh Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6cxh From micelles to bicelles: Effect of the membrane on particulate methane monooxygenase activity.
Resolution2.704 Å
Binding residue
(original residue number in PDB)		M203 V204 C207 R208
Binding residue
(residue number reindexed from 1)		M171 V172 C175 R176
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.13.25: methane monooxygenase (soluble).
External links