Structure of PDB 3tvi Chain H Binding Site BS02

Receptor Information
>3tvi Chain H (length=435) Species: 1488 (Clostridium acetobutylicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVVTKFGGSSLADSNQFKKVKGIIDSDANRKYIIPSAPGKRTNKDYKITD
LLYLCNAHVKNGIPFDDVFKLISQRYTEIVSELNIDMDIAYYLEKVKKNI
ENGASSDYAASRGEYLNGVILAKYLNAEFIDAAEVIFFDKSGCFDEKKSY
EKIKEKVLSCNKAVIPGFYGSSFNGDVKTFSRGGSDVTGSIISAGVNADL
YENWTDVSGFLMADPRIVENPKTISKISYKELRELSYMGATVLHEEAIFP
VKDSGIPINIKNTNKPSDPGTLILSDTHKEINLGTITGIAGKKNFTVIAI
EKALLNSEVGFCRKILSILEMYGVSFEHMPSGVDSVSLVIEDCKLDGKCD
KIIEEIKKQCNPDSIEIHPNMALVATVGTGMAKTKGIANKIFTALSKENV
NIRMIDQGSSEINVIVGVETVDFEKAVKSIYNAFN
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 H Residue 508 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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 G334
Binding residue
(residue number reindexed from 1)		N306 F311 C312 G332
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

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

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