Structure of PDB 2be9 Chain B Binding Site BS01

Receptor Information
>2be9 Chain B (length=148) Species: 2285 (Sulfolobus acidocaldarius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVSKIKNGTVIDHIPAGRAFAVLNVLGIKEGFRIALVINVDSKKMGKKDI
VKIEDKEISDTEANLITLIAPTATINIVREYEVVKKTKLEVPKVVKGILK
CPNPYCITSNDVEAIPTFKTLTEKPLKMRCEYCETIIDENEIMSQILG
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 chain2be9 Chain B Residue 1113 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2be9 Crystal structure of Sulfolobus acidocaldarius aspartate carbamoyltransferase in complex with its allosteric activator CTP.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		C113 C118 C142 C145
Binding residue
(residue number reindexed from 1)		C101 C106 C130 C133
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0006207 'de novo' pyrimidine nucleobase biosynthetic process
GO:0006221 pyrimidine nucleotide biosynthetic process
Cellular Component
GO:0009347 aspartate carbamoyltransferase complex

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Cellular Component
External links
PDB RCSB:2be9, PDBe:2be9, PDBj:2be9
PDBsum2be9
PubMed18477471
UniProtP74766|PYRI_SULAC Aspartate carbamoyltransferase regulatory chain (Gene Name=pyrI)

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