Structure of PDB 3tvi Chain C Binding Site BS01

Receptor Information
>3tvi Chain C (length=433) Species: 1488 (Clostridium acetobutylicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKIVVTKFGGSSLADSNQFKKVKGIIDSDANRKYIIPSAPGKRTNKDYKI
TDLLYLCNAHVKNGIPFDDVFKLISQRYTEIVSELNIDMDIAYYLEKVKK
NIENGASSDYAASRGEYLNGVILAKYLNAEFIDAAEVIFFDKSGCFDEKK
SYEKIKEKVLSCNKAVIPGFYGSSFNGDVKTFSRGGSDVTGSIISAGVNA
DLYENWTDVSGFLMADPRIVENPKTISKISYKELRELSYVLHEEAIFPVK
DSGIPINIKNTNKPSDPGTLILSDTHKEINLGTITGIAGKKNFTVIAIEK
ALLNSEVGFCRKILSILEMYGVSFEHMPSGVDSVSLVIEDCKLDGKCDKI
IEEIKKQCNPDSIEIHPNMALVATVGTGMAKTKGIANKIFTALSKENVNI
RMIDQGSSEINVIVGVETVDFEKAVKSIYNAFN
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 chain3tvi Chain C Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3tvi Crystal structure of Clostridium acetobutylicum Aspartate kinase (CaAK): An important allosteric enzyme for amino acids production.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		N308 F313 C314 S333 G334
Binding residue
(residue number reindexed from 1)		N304 F309 C310 S329 G330
Annotation score2
Enzymatic activity
Enzyme Commision number 2.7.2.4: aspartate kinase.
Gene Ontology
Molecular Function
GO:0004072 aspartate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009085 lysine biosynthetic process
GO:0009088 threonine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0009090 homoserine biosynthetic process
GO:0016310 phosphorylation
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3tvi, PDBe:3tvi, PDBj:3tvi
PDBsum3tvi
PubMed25170437
UniProtQ97MC0

[Back to BioLiP]