Structure of PDB 8gru Chain A

Receptor sequence

>8gruA (length=334) Species: 9606 (Homo sapiens)

GVQTVTLIPGDGIGPEISAAVMKIFDAAKAPIQWEERNVTAIQGPGKWMI
PSEAKESMDKNKMGLKGPLKTPIAAGHPSMNLLLRKTFDLYANVRPCVSI
EGYKTPYTDVNIVTIRENTEGEYSGIEHVIVDGVVASIKLITEGASKRIA
EFAFEYARNNHRSNVTAVHKANIMRMSDGLFLQKCREVAESCKDIKFNEM
YLDTVCLNMVQDPSQFDVLVMPNLYGDILSDLCAGLIGGLGVTPSGNIGA
NGVAIFESVHGTAPDIAGKDMANPTALLLSAVMMLRHMGLFDHAARIEAA
CFATIKDGKSLTKDLGGNAKCSDFTEEICRRVKD

3D structure

• PDB: 8gru Structures of a constitutively active mutant of human IDH3 reveal new insights into the mechanisms of allosteric activation and the catalytic reaction.
• Chain: A
• Resolution: 2.847 Å

Enzymatic activity

• Enzyme Commision number: 1.1.1.41: isocitrate dehydrogenase (NAD(+)).

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	NAD	A	L72 T74 N84 L243 H263 G264 T265 A266 D268 I269 N276 D317	L69 T71 N81 L240 H260 G261 T262 A263 D265 I266 N273 D314
BS02	CA	A	D230 D234	D227 D231
BS03	NAD	A	Y204 T207	Y201 T204

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+)

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)