Structure of PDB 5x5u Chain A Binding Site BS02

Receptor Information
>5x5u Chain A (length=476) Species: 192 (Azospirillum brasilense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYTDTQLLIDGEWVDAASGKTIDVVNPATGKPIGRVAHAGIADLDRALAA
AQSGFEAWRKVPAHERAATMRKAAALVRERADAIAQLMTQEQGKPLTEAR
VEVLSAADIIEWFADEGRRVYGRIVPPRNLGAQQTVVKEPVGPVAAFTPW
NFPVNQVVRKLSAALATGCSFLVKAPEETPASPAALLRAFVDAGVPAGVI
GLVYGDPAEISSYLIPHPVIRKVTFTGSTPVGKQLASLAGLHMKRATMEL
GGHAPVIVAEDADVALAVKAAGGAKFRNAGQVCISPTRFLVHNSIRDEFT
RALVKHAEGLKVGNGLEEGTTLGALANPRRLTAMASVIDNARKVGASIET
GGERIGSEGNFFAPTVIANVPLDADVFNNEPFGPVAAIRGFDKLEEAIAE
ANRLPFGLAGYAFTRSFANVHLLTQRLEVGMLWINQPATPWPEMPFGGVK
DSGYGSEGGPEALEPYLVTKSVTVMA
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain5x5u Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5x5u Structural insights into the production of 3-hydroxypropionic acid by aldehyde dehydrogenase from Azospirillum brasilense.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D19 A20 A21 G23
Binding residue
(residue number reindexed from 1)		D15 A16 A17 G19
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N155 K178 E253 C287 E384 E461
Catalytic site (residue number reindexed from 1) N151 K174 E249 C283 E380 E457
Enzyme Commision number 1.2.1.24: succinate-semialdehyde dehydrogenase (NAD(+)).
1.2.1.26: 2,5-dioxovalerate dehydrogenase.
Gene Ontology
Molecular Function
GO:0004777 succinate-semialdehyde dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0047533 2,5-dioxovalerate dehydrogenase (NADP+) activity
GO:0070401 NADP+ binding
GO:0070403 NAD+ binding
Biological Process
GO:0009450 gamma-aminobutyric acid catabolic process
GO:0019568 arabinose catabolic process
GO:0019570 L-arabinose catabolic process to 2-oxoglutarate
GO:0051262 protein tetramerization

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5x5u, PDBe:5x5u, PDBj:5x5u
PDBsum5x5u
PubMed28393833
UniProtQ1JUP4|KGSD1_AZOBR Alpha-ketoglutaric semialdehyde dehydrogenase 1 (Gene Name=araE)

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