Structure of PDB 2q1d Chain X Binding Site BS02

Receptor Information
>2q1d Chain X (length=281) Species: 273057 (Saccharolobus solfataricus P2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLFRVVKRGYYISYAILDNSTIIRLDEDPIKALMRYSENKEVLGDRVTG
IDYQSLLKSFQINDIRITKPIDPPEVWGSGISYNVAKILGKTIYEKVYDA
VRPEIFFKATPNRCVGHGEAIAVRSDSEWTLPEPELAVVLDSNGKILGYT
IMDDVSARDLEAENPLYLPQSKIYAGCCAFGPVIVTSDEIKNPYSLDITL
KIVREGRVFFEGSVNTNKMRRKIEEQIQYLIRDNPIPDGTILTTGTAIVP
GRDKGLKDEDIVEITISNIGTLITPVKKRRK
Ligand information
Ligand IDDO4
InChIInChI=1S/C5H6O4/c6-3-1-2-4(7)5(8)9/h3H,1-2H2,(H,8,9)
InChIKeyVHKNBDIQDAXGBL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)C(=O)O)C=O
CACTVS 3.341OC(=O)C(=O)CCC=O
ACDLabs 10.04O=CCCC(=O)C(=O)O
FormulaC5 H6 O4
Name2,5-DIOXOPENTANOIC ACID
ChEMBL
DrugBank
ZINCZINC000001532655
PDB chain2q1d Chain X Residue 897 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2q1d Structural insight into substrate binding and catalysis of a novel 2-keto-3-deoxy-D-arabinonate dehydratase illustrates common mechanistic features of the FAH superfamily.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		G80 I81 E114 E143 E145 E171 L178 G255 T256
Binding residue
(residue number reindexed from 1)		G80 I81 E104 E133 E135 E161 L168 G245 T246
Annotation score5
Enzymatic activity
Enzyme Commision number 4.2.1.141: 2-dehydro-3-deoxy-D-arabinonate dehydratase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0016836 hydro-lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0019571 D-arabinose catabolic process
GO:0051289 protein homotetramerization

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Molecular Function
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Biological Process
External links
PDB RCSB:2q1d, PDBe:2q1d, PDBj:2q1d
PDBsum2q1d
PubMed18448118
UniProtQ97UA0|KDAD_SACS2 2-dehydro-3-deoxy-D-arabinonate dehydratase (Gene Name=kdaD)

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