Structure of PDB 3s8h Chain A Binding Site BS01

Receptor Information
>3s8h Chain A (length=292) Species: 287 (Pseudomonas aeruginosa) [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 ID3OH
InChIInChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)
InChIKeyALRHLSYJTWAHJZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OCCC(O)=O
ACDLabs 10.04O=C(O)CCO
OpenEye OEToolkits 1.5.0C(CO)C(=O)O
FormulaC3 H6 O3
Name3-HYDROXY-PROPANOIC ACID
ChEMBLCHEMBL1205969
DrugBankDB03688
ZINCZINC000000895452
PDB chain3s8h Chain A Residue 726 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3s8h Structure of dihydrodipicolinate synthase complexed with 3-Hydroxypropanoic acid(HPA)at 2.70 A resolution
Resolution2.7 Å
Binding residue
(original residue number in PDB)		A8 L9 V40 G43 T44 T45 G46 K161
Binding residue
(residue number reindexed from 1)		A8 L9 V40 G43 T44 T45 G46 K161
Annotation score1
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:3s8h, PDBe:3s8h, PDBj:3s8h
PDBsum3s8h
PubMed
UniProtQ9I4W3|DAPA_PSEAE 4-hydroxy-tetrahydrodipicolinate synthase (Gene Name=dapA)

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