Structure of PDB 8bay Chain C Binding Site BS04
Receptor Information
>8bay Chain C (length=415) Species:
9606
(Homo sapiens) [
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KKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDAT
NDQVTKDAAEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNI
LGGTVFREAIICKNIPRLVSGWVKPIIIGCHAYGDQYRATDFVVPGPGKV
EITYTPSDGTQKVTYLVHNFEEGGGVAMGMYNQDKSIEDFAHSSFQMALS
KGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFEAQKIWYEHRLID
DMVAQAMKSEGGFIWACKNYDGDVQSDFVAQGYGSLGMMTSVLVCPDGKT
VEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKEL
AFFANALEEVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLG
ENLKIKLAQAKLLEH
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
8bay Chain C Residue 606 [
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Receptor-Ligand Complex Structure
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PDB
8bay
Natural and synthetic 2-oxoglutarate derivatives are substrates for oncogenic variants of human isocitrate dehydrogenase 1 and 2.
Resolution
2.35 Å
Binding residue
(original residue number in PDB)
D275 D279
Binding residue
(residue number reindexed from 1)
D273 D277
Annotation score
1
Enzymatic activity
Enzyme Commision number
1.1.1.42
: isocitrate dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0000287
magnesium ion binding
GO:0004450
isocitrate dehydrogenase (NADP+) 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:0042802
identical protein binding
GO:0042803
protein homodimerization activity
GO:0045296
cadherin binding
GO:0046872
metal ion binding
GO:0050661
NADP binding
GO:0051287
NAD binding
Biological Process
GO:0006097
glyoxylate cycle
GO:0006099
tricarboxylic acid cycle
GO:0006102
isocitrate metabolic process
GO:0006103
2-oxoglutarate metabolic process
GO:0006739
NADP metabolic process
GO:0006749
glutathione metabolic process
GO:0006979
response to oxidative stress
GO:0008585
female gonad development
GO:0014070
response to organic cyclic compound
GO:0048545
response to steroid hormone
GO:0060696
regulation of phospholipid catabolic process
GO:0071071
regulation of phospholipid biosynthetic process
Cellular Component
GO:0005576
extracellular region
GO:0005737
cytoplasm
GO:0005739
mitochondrion
GO:0005777
peroxisome
GO:0005782
peroxisomal matrix
GO:0005829
cytosol
GO:0034774
secretory granule lumen
GO:0070062
extracellular exosome
GO:1904724
tertiary granule lumen
GO:1904813
ficolin-1-rich granule lumen
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:8bay
,
PDBe:8bay
,
PDBj:8bay
PDBsum
8bay
PubMed
36621625
UniProt
O75874
|IDHC_HUMAN Isocitrate dehydrogenase [NADP] cytoplasmic (Gene Name=IDH1)
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