Structure of PDB 3ei9 Chain B Binding Site BS01

Receptor Information
>3ei9 Chain B (length=410) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EYKTKVSRNSNMSKLQAGYLFPEIARRRSAHLLKYPDAQVISLGIGDTTE
PIPEVITSAMAKKAHELSTIEGYSGYGAEQGAKPLRAAIAKTFYGGLGIG
DDDVFVSDGAKCDISRLQVMFGSNVTIAVQDPSYPAYVDSSVIMGQTGQF
NTDVQKYGNIEYMRCTPENGFFPDLSTVGRTDIIFFCSPNNPTGAAATRE
QLTQLVEFAKKNGSIIVYDSAYAMYMSDDNPRSIFEIPGAEEVAMETASF
SNYAGFTGVRLGWTVIPKKLLYSDGFPVAKDFNRIICTCFNGASNISQAG
ALACLTPEGLEAMHKVIGFYKENTNIIIDTFTSLGYDVYGGKNAPYVWVH
FPNQSSWDVFAEILEKTHVVTTPGSGFGPGGEGFVRVSAFGHRENILEAC
RRFKQLYKHH
Ligand information
Ligand IDPL6
InChIInChI=1S/C13H17N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4-5,10,18H,2-3,6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)/b15-5+/t10-/m0/s1
InChIKeyZZRWFCMLYWHYGX-XSFFOXFNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=N[C@@H](CCC(O)=O)C(O)=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CCC(=O)O)C(=O)O)O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](CCC(=O)O)C(=O)O)O
ACDLabs 10.04O=C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)CCC(=O)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CCC(O)=O)C(O)=O)c1O
FormulaC13 H17 N2 O9 P
Name(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid
ChEMBL
DrugBank
ZINCZINC000058651782
PDB chain3ei9 Chain A Residue 433 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ei9 Mechanism of substrate recognition and PLP-induced conformational changes in LL-diaminopimelate aminotransferase from Arabidopsis thaliana.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		Y94 N309
Binding residue
(residue number reindexed from 1)		Y76 N291
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.83: LL-diaminopimelate aminotransferase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0008483 transaminase activity
GO:0010285 L,L-diaminopimelate aminotransferase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009058 biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0009862 systemic acquired resistance, salicylic acid mediated signaling pathway
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009507 chloroplast
GO:0009570 chloroplast stroma

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ei9, PDBe:3ei9, PDBj:3ei9
PDBsum3ei9
PubMed18952095
UniProtQ93ZN9|DAPAT_ARATH LL-diaminopimelate aminotransferase, chloroplastic (Gene Name=DAP)

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