Structure of PDB 8kib Chain D Binding Site BS03

Receptor Information

>8kib Chain D (length=411) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RKIQGGSVVEMQGDEMTRIIWELIKEKLILPYVELDLHSYDLGIENRDAT
NDQVTKDAAEAIKKYNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNI
LGGTVFREAIICKNIPRLVTGWVKPIIIGRHAYGDQYRATDFVVPGPGKV
EITYTPKDGTQKVTYMVHDFEEGGGVAMGMYNQDKSIEDFAHSSFQMALS
KGWPLYLSTKNTILKKYDGRFKDIFQEIYDKKYKSQFEAQKICYEHRLID
DMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLICPDGKT
VEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWSRGLAHRAKLDNNTEL
SFFAKALEDVCIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLG
ENLKAKLAQAK

Ligand information

Ligand ID

OAA

InChI

InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1

InChIKey

KHPXUQMNIQBQEV-UHFFFAOYSA-M

SMILES

Software	SMILES
ACDLabs 10.04	[O-]C(=O)CC(=O)C(=O)O
OpenEye OEToolkits 1.5.0	C(C(=O)C(=O)O)C(=O)[O-]
CACTVS 3.341	OC(=O)C(=O)CC([O-])=O

Formula

C4 H3 O5

Name

OXALOACETATE ION

PDB chain

8kib Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8kib NADP+-dependent cytosolic isocitrate dehydrogenase complexed with oxaloacetate
Resolution	1.7 Å
Binding residue (original residue number in PDB)	T77 S94 R100 R132 Y139 D275
Binding residue (residue number reindexed from 1)	T75 S92 R98 R130 Y137 D273
Annotation score	3

External links

PDB	RCSB:8kib, PDBe:8kib, PDBj:8kib
PDBsum	8kib
PubMed
UniProt	O88844\|IDHC_MOUSE Isocitrate dehydrogenase [NADP] cytoplasmic (Gene Name=Idh1)

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