Structure of PDB 3puo Chain A Binding Site BS01

Receptor Information
>3puo Chain A (length=292) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIAGSMVALVTPFDAQGRLDWDSLAKLVDFHLQDGTNAIVAVGTTGESAT
LDVEEHIQVVRRVVDQVKGRIPVIAGTGANSTREAVALTEAAKSGGADAC
LLVTPYYNKPTQEGMYQHFRHIAEAVAIPQILYNVPGRTSCDMLPETVER
LSKVPNIIGIKEATGDLQRAKEVIERVGKDFLVYSGDDATAVELMLLGGK
GNISVTANVAPRAMSDLCAAAMRGDAAAARAINDRLMPLHKALFIESNPI
PVKWALHEMGLIPEGIRLPLTWLSPHCHDPLRQAMRQTGVLA
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 chain3puo Chain A Residue 293 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3puo Biochemical studies and crystal structure determination of dihydrodipicolinate synthase from Pseudomonas aeruginosa
Resolution2.65 Å
Binding residue
(original residue number in PDB)		S48 A49 L51 D52 V53
Binding residue
(residue number reindexed from 1)		S48 A49 L51 D52 V53
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) T44 Y107 Y133 R138 K161 I203
Catalytic site (residue number reindexed from 1) T44 Y107 Y133 R138 K161 I203
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:3puo, PDBe:3puo, PDBj:3puo
PDBsum3puo
PubMed21396954
UniProtQ9I4W3|DAPA_PSEAE 4-hydroxy-tetrahydrodipicolinate synthase (Gene Name=dapA)

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