Structure of PDB 8wq9 Chain B Binding Site BS01

Receptor Information
>8wq9 Chain B (length=478) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLLIRGATVVTHEESYRADVLCANGLIQAIGENLETPSGCDVLDGGGQYL
MPGGIDPHTHMQLPFMGTVASEDFFSGTAAGLAGGTTSIIDFVIPNPRQS
LLEAFHTWRGWAQKSAADYGFHVAITWWSDEVAREMGELVAQHGVNSFKH
FMAYKNAIMAADDTLVASFERCLELGAVPTVHAENGELVFHLQQKLLAQG
LTGPEAHPLSRPPQVEGEAASRAIRIAETLGTPLYLVHISSREALDEIAY
ARAKGQPVYGEVLAGHLLLDDSVYRHPDWATAAGYVMSPPFRPVEHQEAL
WRGLQSGNLHTTATDHCCFCAEQKAMGRDDFSKIPNGTAGIEDRMALLWD
AGVNSGRLSMHEFVALTSTNTAKIFNLFPRKGAIRVGADADLVLWDPQGS
RTLSAATHHQRVDFNIFEGRTVRGIPSHTISQGKLLWAAGDLRAEPGAGR
YVERPAYPSVYEVLGRRAERQRPVAVER
Ligand information
Ligand IDABU
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKeyBTCSSZJGUNDROE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NCCCC(O)=O
ACDLabs 12.01O=C(O)CCCN
OpenEye OEToolkits 1.7.0C(CC(=O)O)CN
FormulaC4 H9 N O2
NameGAMMA-AMINO-BUTANOIC ACID;
GAMMA(AMINO)-BUTYRIC ACID
ChEMBLCHEMBL96
DrugBankDB02530
ZINCZINC000001532620
PDB chain8wq9 Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8wq9 The complexed crystal structure of dihydropyrimidinase reveals a potential interactive link with the neurotransmitter gamma-aminobutyric acid (GABA).
Resolution1.97 Å
Binding residue
(original residue number in PDB)		F66 F320 I335 N337
Binding residue
(residue number reindexed from 1)		F65 F319 I334 N336
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.2.2: dihydropyrimidinase.
Gene Ontology
Molecular Function
GO:0004157 dihydropyrimidinase activity
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0016812 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8wq9, PDBe:8wq9, PDBj:8wq9
PDBsum8wq9
PubMed38056157
UniProtQ9I676|HYDA_PSEAE D-hydantoinase/dihydropyrimidinase (Gene Name=dht)

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