Structure of PDB 7lvl Chain C Binding Site BS01

Receptor Information
>7lvl Chain C (length=296) Species: 556287 (Candidatus Liberibacter solanacearum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFQRSIPALITPFTKDNLIDEDSFVDHIEWQISEGSSGLVPAGTTGESST
LSYEEHCRVVELCVKTAAGRVPVMAGAGSNNTKESIELAQYAQNTGADAL
LVVVPYYNKPNKKGLLAHFGSIANAVSLPIYIYNNPSRTVIEMDVDTMAE
LVKTYSNIVGVKDATGRIELASGQRIACGSDFIQLSGDDSSALGFNVHGG
VGCISVTANVAPRICAEFQKAISEGDYRQALEYQDKLFPLHQALFIEPSI
SSVKYALSRLGRNVSLVVRAPMVSILEKETMFAIDQALDHIGLCAG
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 chain7lvl Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7lvl Dihydrodipicolinate synthase bound with allosteric inhibitor (S)-lysine from Candidatus Liberibacter solanacearum
Resolution2.01 Å
Binding residue
(original residue number in PDB)		S48 S49 Y106
Binding residue
(residue number reindexed from 1)		S48 S49 Y106
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) T44 Y107 Y133 R138 K162 I204
Catalytic site (residue number reindexed from 1) T44 Y107 Y133 R138 K162 I204
Enzyme Commision number 4.3.3.7: 4-hydroxy-tetrahydrodipicolinate synthase.
Gene Ontology
Molecular Function
GO:0008840 4-hydroxy-tetrahydrodipicolinate synthase activity
GO:0016829 lyase activity
Biological Process
GO:0009085 lysine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0019877 diaminopimelate biosynthetic process
GO:0044281 small molecule metabolic process
Cellular Component
GO:0005737 cytoplasm
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:7lvl, PDBe:7lvl, PDBj:7lvl
PDBsum7lvl
PubMed
UniProtA0A0F4VK59

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