Structure of PDB 7o71 Chain 2 Binding Site BS02

Receptor Information
>7o71 Chain 2 (length=469) Species: 4952 (Yarrowia lipolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLILAIISLITFVSMSKLSDNRAIIRLINIYLILVLVLDSFLYLLFLNNQ
TYTVMGELLIFNSFTFYIDMLIYFIMIVISSLYGYNLYNNNLYKTLFEPK
KELIILFLINILGALLIVHSNDFITLFVAIELQSYSIYLITAIYNSSYKA
SKASMLYFFMGGILSILIAYSINTYYSVLNSYTLHSLDSLIINTLDLNLI
LIALSLGLLFKIGIAPLHKWLISIYENTPILITIYISLIPKISILSYLVL
SNISINSLVISILAILTLLVGSVGGLLQIKIKRLLAFSGLTNAGYMMLLL
LLNNNEFSYLYYITQYSISHLAIFMIIIFSIYYINYINNQYNPIIYVNQL
KGLIHDNAYLVLSMAIVVFSFIGIPPLLGFFGKLNILMSILNNGYYFISI
VLIVASLISALYYLYLLNVSIQDKNNILINSNETVSSVLSYILSSLIILI
TFGFIYNSLIIDIFNVYFN
Ligand information
Ligand IDCPL
InChIInChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1
InChIKeyJLPULHDHAOZNQI-ZTIMHPMXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(OCC(OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C/C=C\CCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
FormulaC42 H80 N O8 P
Name1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
PALMITOYL-LINOLEOYL PHOSPHATIDYLCHOLINE
ChEMBL
DrugBankDB02306
ZINC
PDB chain7o71 Chain 2 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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PDB7o71 High-resolution structure and dynamics of mitochondrial complex I-Insights into the proton pumping mechanism.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		S40 Y43 M70 F74 L310 Y311 G453 Y456 I460 F464 Y467
Binding residue
(residue number reindexed from 1)		S40 Y43 M70 F74 L310 Y311 G453 Y456 I460 F464 Y467
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:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7o71, PDBe:7o71, PDBj:7o71
PDBsum7o71
PubMed34767441
UniProtQ9B6C8|NU2M_YARLI NADH-ubiquinone oxidoreductase chain 2 (Gene Name=ND2)

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