Structure of PDB 7mjf Chain E Binding Site BS01

Receptor Information
>7mjf Chain E (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 IDE8U
InChIInChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)/t4-/m1/s1
InChIKeyHNOAJOYERZTSNK-SCSAIBSYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(CC(=O)O)[C@H](CC(=O)C(=O)O)O
CACTVS 3.385O[CH](CCC(O)=O)CC(=O)C(O)=O
CACTVS 3.385O[C@H](CCC(O)=O)CC(=O)C(O)=O
OpenEye OEToolkits 1.9.2C(CC(=O)O)C(CC(=O)C(=O)O)O
ACDLabs 12.01O=C(C(=O)O)CC(O)CCC(=O)O
FormulaC7 H10 O6
Name(4R)-4-oxidanyl-2-oxidanylidene-heptanedioic acid
ChEMBL
DrugBank
ZINC
PDB chain7mjf Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mjf Crystal structure of Candidatus Liberibacter solanacearum dihydrodipicolinate synthase with pyruvate and succinic semi-aldehyde bound in active site
Resolution2.2 Å
Binding residue
(original residue number in PDB)		A8 T44 T45 Y133 N135 R138 K162 G187 I204
Binding residue
(residue number reindexed from 1)		A8 T44 T45 Y133 N135 R138 K162 G187 I204
Annotation score1
Enzymatic activity
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:7mjf, PDBe:7mjf, PDBj:7mjf
PDBsum7mjf
PubMed
UniProtA0A0F4VK59

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