Structure of PDB 7v2d Chain i Binding Site BS01

Receptor Information
>7v2d Chain i (length=347) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNPIIYTTLIMTVMSGTMLVMISSHWLLIWIGFEMNLLAMIPVLMKNFNP
RATEAATKYFLTQATASMMLMMAIIINLLYSGQWTITKMFNPVAMTMMTM
ALAMKLGLSPFHFWVPEVTQGISLQAGLLLLTWQKLAPLSVLCQISQSIN
PNLMLTMAMLSILIGGWGGLNQTQLRKIMAYSSIAHMGWMTAVLPYNTTM
TILNLLIYITMTLAMFMLLIHSSATTTLSLSHTWNKMPVITSLMMVTLLS
MGGLPPLSGFMPKWMIIQEMTKNESIIMPTLMAMTALLNLYFYMRLAYSS
SLTMFPSTNNMKMKWQFEHTKQMKLLPTMIVLSTLVLPMTPALSSLN
Ligand information
Ligand IDPLX
InChIInChI=1S/C42H88NO8P/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/h40-42,44-45H,6-39H2,1-5H3/p+1/t40-,41+,42+/m1/s1
InChIKeyYVNJQRQLQPWVSQ-IWSHAHEXSA-O
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCCCCCCCC[C@@H](O)O[C@H](CO[C@H](O)CCCCCCCCCCCCCCC)CO[P@@](O)(=O)OCC[N+](C)(C)C
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCC(O)OC(COC(CCCCCCCCCCCCCCC)O)COP(=O)(O)OCC[N+](C)(C)C
CACTVS 3.341CCCCCCCCCCCCCCCCC[CH](O)O[CH](CO[CH](O)CCCCCCCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C
ACDLabs 10.04O=P(OCC(OC(O)CCCCCCCCCCCCCCCCC)COC(O)CCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCC[C@@H](O)O[C@H](CO[C@@H](CCCCCCCCCCCCCCC)O)CO[P@](=O)(O)OCC[N+](C)(C)C
FormulaC42 H89 N O8 P
Name(9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL
ChEMBL
DrugBank
ZINCZINC000058638459
PDB chain7v2d Chain g Residue 201 [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]
PDB7v2d The coupling mechanism of mammalian mitochondrial complex I.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		L203 I207 L332 M339 A342 N347
Binding residue
(residue number reindexed from 1)		L203 I207 L332 M339 A342 N347
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7v2d, PDBe:7v2d, PDBj:7v2d
PDBsum7v2d
PubMed35145322
UniProtO79875|NU2M_PIG NADH-ubiquinone oxidoreductase chain 2 (Gene Name=MT-ND2)

[Back to BioLiP]