Structure of PDB 2iv0 Chain A Binding Site BS01

Receptor Information
>2iv0 Chain A (length=412) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQYEKVKPPENGEKIRYENGKLIVPDNPIIPYFEGDGIGKDVVPAAIRVL
DAAADKIGKEVVWFQVYAGEDAYKLYGNYLPDDTLNAIKEFRVALKGPLT
TPVGGGYRSLNVTIRQVLDLYANVRPVYYLKGVPSPIKHPEKVNFVIFRE
NTEDVYAGIEWPRGSEEALKLIRFLKNEFGVTIREDSGIGIKPISEFATK
RLVRMAIRYAIENNRKSVTLVHKGNIMKYTEGAFRDWGYEVAKQEFGEYC
ITEDELWDKYGGKQPEGKIVVKDRIADNMFQQILTRTDEYDVIALPNLNG
DYLSDAAAALIGGLGIAPGSNIGDGIGVFEPVHGSAPKYAGQNKVNPTAE
ILTGALMFEYIGWKDASEMIKKAVEMTISSGIVTYDIHRHMGGTKVGTRE
FAEAVVENLQSL
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2iv0 Chain A Residue 1414 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2iv0 Thermal Stability of Isocitrate Dehydrogenase from Archaeoglobus Fulgidus Studied by Crystal Structure Analysis and Engineering of Chimers
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H388 G393
Binding residue
(residue number reindexed from 1)		H388 G393
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y156 K223 D277 D301 D305
Catalytic site (residue number reindexed from 1) Y156 K223 D277 D301 D305
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: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:0006097 glyoxylate cycle
GO:0006099 tricarboxylic acid cycle

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:2iv0, PDBe:2iv0, PDBj:2iv0
PDBsum2iv0
PubMed17401542
UniProtO29610|IDH_ARCFU Isocitrate dehydrogenase [NADP] (Gene Name=icd)

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