Structure of PDB 7ar7 Chain f Binding Site BS01
Receptor Information
>7ar7 Chain f (length=100) Species:
3702
(Arabidopsis thaliana) [
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MNTDITALEKAQYPVVDRNPAFTKVVGNFSTLDYLRFSTITGISVTVGYL
SGIKPGIKGPSMVTGGLIGLMGGFMYAYQNSAGRLMGFFPNDGEVASYQK
Ligand information
Ligand ID
T7X
InChI
InChI=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
InChIKey
KRTOMQDUKGRFDJ-TWUHCGEESA-N
SMILES
Software
SMILES
CACTVS 3.385
CCCCCCCCCCCCCCCCCC(=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 2.0.4
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
CACTVS 3.385
CCCCCCCCCCCCCCCCCC(=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 2.0.4
CCCCCCCCCCCCCCCCCC(=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 12.01
C1(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
Formula
C47 H83 O13 P
Name
Phosphatidylinositol
ChEMBL
DrugBank
ZINC
ZINC000584905691
PDB chain
7ar7 Chain z Residue 302 [
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Receptor-Ligand Complex Structure
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PDB
7ar7
A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Resolution
3.72 Å
Binding residue
(original residue number in PDB)
Y49 L50 I53
Binding residue
(residue number reindexed from 1)
Y49 L50 I53
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Biological Process
GO:0009853
photorespiration
Cellular Component
GO:0005739
mitochondrion
GO:0005829
cytosol
GO:0031966
mitochondrial membrane
GO:0045271
respiratory chain complex I
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:7ar7
,
PDBe:7ar7
,
PDBj:7ar7
PDBsum
7ar7
PubMed
33768254
UniProt
Q84W12
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