Structure of PDB 2cdq Chain B Binding Site BS02

Receptor Information
>2cdq Chain B (length=470) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGITCVMKFGGSSVASAERMKEVADLILTFPEESPVIVLSAMGKTTNNLL
LAGEKAVSCGVSNASEIEELSIIKELHIRTVKELNIDPSVILTYLEELEQ
LLKGIAMMKELTLRTRDYLVSFGECLSTRIFAAYLNTIGVKARQYDAFEI
GFITTDDFTNGDILEATYPAVAKRLYDDWMHDPAVPIVTGFLGKGWKTGA
VTTLGRGGSDLTATTIGKALGLKEIQVWKDVDGVLTCDPTIYKRATPVPY
LTFDEAAELAYFGAQVLHPQSMRPAREGEIPVRVKNSYNPKAPGTIITKT
RDMTKSILTSIVLKRNVTMLDIASTRMLGQVGFLAKVFSIFEELGISVDV
VATSEVSISLTLDPSKLWSRELIQQELDHVVEELEKIAVVNLLKGRAIIS
LIGNVQHSSLILERAFHVLYTKGVNVQMISQGASKVNISFIVNEAEAEGC
VQALHKSFFESGDLSELLIQ
Ligand information
Ligand IDLYS
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1
InChIKeyKDXKERNSBIXSRK-YFKPBYRVSA-O
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCCC[NH3+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCC[NH3+]
OpenEye OEToolkits 1.5.0C(CC[NH3+])C[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](CCCC[NH3+])C(O)=O
OpenEye OEToolkits 1.5.0C(CC[NH3+])CC(C(=O)O)N
FormulaC6 H15 N2 O2
NameLYSINE
ChEMBL
DrugBank
ZINC
PDB chain2cdq Chain B Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2cdq A Novel Organization of Act Domains in Allosteric Enzymes Revealed by the Crystal Structure of Arabidopsis Aspartate Kinase
Resolution2.85 Å
Binding residue
(original residue number in PDB)		S371 V372 D373
Binding residue
(residue number reindexed from 1)		S347 V348 D349
Annotation score2
Enzymatic activity
Enzyme Commision number 2.7.2.4: aspartate kinase.
Gene Ontology
Molecular Function
GO:0004072 aspartate kinase activity
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2cdq, PDBe:2cdq, PDBj:2cdq
PDBsum2cdq
PubMed16731588
UniProtQ9LYU8|AK1_ARATH Aspartokinase 1, chloroplastic (Gene Name=AK1)

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