Structure of PDB 7o71 Chain 2 Binding Site BS01

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 IDT7X
InChIInChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11+,19-17+,24-22-,30-28-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
InChIKeyKRTOMQDUKGRFDJ-TWUHCGEESA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C/C=C\C/C=C/C/C=C/CCCCC
OpenEye OEToolkits 2.0.4CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
OpenEye OEToolkits 2.0.4CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C/C/C=C/CCCCC
ACDLabs 12.01C1(C(C(C(C(C1O)O)O)O)O)OP(OCC(OC(CCCC=[C@H]CC=[C@H]C[C@H]=CC\C=C\CCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCC)(O)=O
FormulaC47 H83 O13 P
NamePhosphatidylinositol
ChEMBL
DrugBank
ZINCZINC000584905691
PDB chain7o71 Chain 2 Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		S437 Y441
Binding residue
(residue number reindexed from 1)		S437 Y441
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

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

[Back to BioLiP]