Structure of PDB 8wq9 Chain B Binding Site BS04

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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8wq9 Chain B Residue 504 [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)		H59 H61 K150 D316
Binding residue
(residue number reindexed from 1)		H58 H60 K149 D315
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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