Structure of PDB 6zkm Chain N Binding Site BS02

Receptor Information
>6zkm Chain N (length=347) Species: 9940 (Ovis aries) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNPIILIIILMTVMLGTIIVMISTHWLLIWIGFEMNMLAIIPIMMKKHNP
RATEASTKYFLTQSTASMLLMMAIIINLMFSGQWTVMKLFNPMASMLMTM
ALAMKLGMAPFHFWVPEVTQGIPLSSGLILLTWQKLAPMSVLYQILPSIN
LDLILTLSILSITIGGWGGLNQTQLRKIMAYSSIAHMGWMTAVLLYNPTM
TLLNLIIYIIMTSTMFTLFMANSTTTTLSLSHTWNKAPIMTILVLITLLS
MGGLPPLSGFMPKWMIIQEMTKNDSIILPTLMAITALLNLYFYMRLTYST
ALTMFPSTNNMKMKWQFPTTKRMTLLPTMTVLSTMLLPLTPILSILE
Ligand information
Ligand ID970
InChIInChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
InChIKeyJUVIOZPCNVVQFO-HBGVWJBISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=C)[C@H]1Cc2c(ccc3c2O[C@@H]4COc5cc(c(cc5[C@@H]4C3=O)OC)OC)O1
CACTVS 3.385COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C
ACDLabs 12.01c3c4C(=O)C5c1c(cc(c(OC)c1)OC)OCC5Oc4c2CC(C(\C)=C)Oc2c3
OpenEye OEToolkits 2.0.6CC(=C)C1Cc2c(ccc3c2OC4COc5cc(c(cc5C4C3=O)OC)OC)O1
CACTVS 3.385COc1cc2OC[CH]3Oc4c5C[CH](Oc5ccc4C(=O)[CH]3c2cc1OC)C(C)=C
FormulaC23 H22 O6
Name(2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one
ChEMBLCHEMBL429023
DrugBankDB11457
ZINCZINC000003860715
PDB chain6zkm Chain M Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zkm The coupling mechanism of mammalian respiratory complex I.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		M294 R295 Y298
Binding residue
(residue number reindexed from 1)		M294 R295 Y298
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
Biological Process
GO:0006120 mitochondrial electron transport, NADH to ubiquinone
GO:0032981 mitochondrial respiratory chain complex I assembly
GO:0072593 reactive oxygen species metabolic process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0045271 respiratory chain complex I

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6zkm, PDBe:6zkm, PDBj:6zkm
PDBsum6zkm
PubMed32972993
UniProtO78748|NU2M_SHEEP NADH-ubiquinone oxidoreductase chain 2 (Gene Name=MT-ND2)

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