Structure of PDB 7arb Chain n Binding Site BS01

Receptor Information
>7arb Chain n (length=109) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAYFARRAAQKERVRILYRRALKDTLNWAVHRHIFYRDASDLREKFNVNQ
DVEDVDRIDKLIAHGEAEYNKWRHPDPYIVPWAPGGSKFCRNPTPPAGIE
IVYNYGLED
Ligand information
Ligand ID8Q1
InChIInChI=1S/C23H45N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-20(27)35-17-16-24-19(26)14-15-25-22(29)21(28)23(2,3)18-33-34(30,31)32/h21,28H,4-18H2,1-3H3,(H,24,26)(H,25,29)(H2,30,31,32)/t21-/m0/s1
InChIKeyMVHUOSAYFQKAMT-NRFANRHFSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.6CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O
CACTVS 3.385CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(O)=O
ACDLabs 12.01O=C(CCCCCCCCCCC)SCCNC(CCNC(C(C(COP(=O)(O)O)(C)C)O)=O)=O
OpenEye OEToolkits 2.0.6CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O
FormulaC23 H45 N2 O8 P S
NameS-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate;
S-dodecanoyl-4'-phosphopantetheine
ChEMBL
DrugBank
ZINCZINC000535385355
PDB chain7arb Chain n Residue 200 [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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PDB7arb A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Resolution3.41 Å
Binding residue
(original residue number in PDB)		K17 V20 F52 N55 V58 I64 G71 Y75 W78
Binding residue
(residue number reindexed from 1)		K11 V14 F46 N49 V52 I58 G65 Y69 W72
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006120 mitochondrial electron transport, NADH to ubiquinone
GO:0009853 photorespiration
Cellular Component
GO:0000325 plant-type vacuole
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0005886 plasma membrane
GO:0031966 mitochondrial membrane
GO:0045271 respiratory chain complex I

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7arb, PDBe:7arb, PDBj:7arb
PDBsum7arb
PubMed33768254
UniProtQ945M1|NDUB9_ARATH NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9 (Gene Name=CIB22)

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