Structure of PDB 8gru Chain C Binding Site BS02
Receptor Information
>8gru Chain C (length=334) Species:
9606
(Homo sapiens) [
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GVQTVTLIPGDGIGPEISAAVMKIFDAAKAPIQWEERNVTAIQGPGKWMI
PSEAKESMDKNKMGLKGPLKTPIAAGHPSMNLLLRKTFDLYANVRPCVSI
EGYKTPYTDVNIVTIRENTEGEYSGIEHVIVDGVVASIKLITEGASKRIA
EFAFEYARNNHRSNVTAVHKANIMRMSDGLFLQKCREVAESCKDIKFNEM
YLDTVCLNMVQDPSQFDVLVMPNLYGDILSDLCAGLIGGLGVTPSGNIGA
NGVAIFESVHGTAPDIAGKDMANPTALLLSAVMMLRHMGLFDHAARIEAA
CFATIKDGKSLTKDLGGNAKCSDFTEEICRRVKD
Ligand information
Ligand ID
CA
InChI
InChI=1S/Ca/q+2
InChIKey
BHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
Formula
Ca
Name
CALCIUM ION
ChEMBL
DrugBank
DB14577
ZINC
PDB chain
8gru Chain C Residue 402 [
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Receptor-Ligand Complex Structure
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PDB
8gru
Structures of a constitutively active mutant of human IDH3 reveal new insights into the mechanisms of allosteric activation and the catalytic reaction.
Resolution
2.847 Å
Binding residue
(original residue number in PDB)
D230 D234 V262
Binding residue
(residue number reindexed from 1)
D227 D231 V259
Annotation score
1
Enzymatic activity
Enzyme Commision number
1.1.1.41
: isocitrate dehydrogenase (NAD(+)).
Gene Ontology
Molecular Function
GO:0000287
magnesium ion binding
GO:0004449
isocitrate dehydrogenase (NAD+) activity
GO:0005515
protein binding
GO:0016491
oxidoreductase activity
GO:0016616
oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0046872
metal ion binding
GO:0051287
NAD binding
Biological Process
GO:0005975
carbohydrate metabolic process
GO:0006099
tricarboxylic acid cycle
GO:0006102
isocitrate metabolic process
Cellular Component
GO:0005634
nucleus
GO:0005739
mitochondrion
GO:0005759
mitochondrial matrix
GO:0045242
isocitrate dehydrogenase complex (NAD+)
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:8gru
,
PDBe:8gru
,
PDBj:8gru
PDBsum
8gru
PubMed
36375638
UniProt
P50213
|IDH3A_HUMAN Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial (Gene Name=IDH3A)
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