Structure of PDB 3r5a Chain B Binding Site BS01

Receptor Information
>3r5a Chain B (length=318) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSLFSLAFGVGTQNRQEAWLEVFYALPLLKPSSEIVAAVAPILGYAAGNQ
ALTFTSQQAYQLADALKGIDAAQSALLSRLAESQKPLVATLLAEDAAPSS
TAEAYLKLHLLSHRLVKPHAVNLSGIFPLLPNVAWTNIGAVDLAELAELQ
LEARLKGKLLEVFSVDKFPKMTDYVVPAGVRIADTARVRLGAYIGEGTTV
MHEGFVNFNAGTEGPGMIEGRVSAGVFVGKGSDLGGGCSTMGNIVISVGE
GCLIGANAGIGIPLGDRNIVEAGLYITAGTKVALLDNALVKVVKARDLAG
QPDLLFRRNSQNGAVECK
Ligand information
Ligand IDP0A
InChIInChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)/t5-/m1/s1
InChIKeyJUQLUIFNNFIIKC-RXMQYKEDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2C(CCC(=O)O)C[C@H](C(=O)O)N
ACDLabs 12.01O=C(O)C(N)CCCCC(=O)O
OpenEye OEToolkits 1.7.2C(CCC(=O)O)CC(C(=O)O)N
CACTVS 3.370N[CH](CCCCC(O)=O)C(O)=O
CACTVS 3.370N[C@H](CCCCC(O)=O)C(O)=O
FormulaC7 H13 N O4
Name(2R)-2-aminoheptanedioic acid
ChEMBL
DrugBank
ZINCZINC000002169351
PDB chain3r5a Chain A Residue 345 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3r5a Tetrahydrodipicolinate N-succinyltransferase and dihydrodipicolinate synthase from Pseudomonas aeruginosa: structure analysis and gene deletion.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		F129 R191 N209 S225
Binding residue
(residue number reindexed from 1)		F127 R189 N207 S223
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.117: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008666 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase activity
GO:0016746 acyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0009085 lysine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0019877 diaminopimelate biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3r5a, PDBe:3r5a, PDBj:3r5a
PDBsum3r5a
PubMed22359568
UniProtG3XD76|DAPD_PSEAE 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase (Gene Name=dapD)

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