Structure of PDB 7e3u Chain B Binding Site BS02

Receptor Information
>7e3u 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 chain7e3u Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7e3u Molecular Insights into How the Dimetal Center in Dihydropyrimidinase Can Bind the Thymine Antagonist 5-Aminouracil: A Different Binding Mode from the Anticancer Drug 5-Fluorouracil.
Resolution2.159 Å
Binding residue
(original residue number in PDB)		K150 H183 H239
Binding residue
(residue number reindexed from 1)		K149 H182 H238
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
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Cellular Component
External links
PDB RCSB:7e3u, PDBe:7e3u, PDBj:7e3u
PDBsum7e3u
PubMed35198016
UniProtQ9I676|HYDA_PSEAE D-hydantoinase/dihydropyrimidinase (Gene Name=dht)

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