Structure of PDB 5e5c Chain C Binding Site BS01

Receptor Information
>5e5c Chain C (length=479) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSLLIRGATVVTHEESYRADVLCANGLIQAIGENLETPSGCDVLDGGGQY
LMPGGIDPHTHMQLPFMGTVASEDFFSGTAAGLAGGTTSIIDFVIPNPRQ
SLLEAFHTWRGWAQKSAADYGFHVAITWWSDEVAREMGELVAQHGVNSFK
HFMAYKNAIMAADDTLVASFERCLELGAVPTVHAENGELVFHLQQKLLAQ
GLTGPEAHPLSRPPQVEGEAASRAIRIAETLGTPLYLVHISSREALDEIA
YARAKGQPVYGEVLAGHLLLDDSVYRHPDWATAAGYVMSPPFRPVEHQEA
LWRGLQSGNLHTTATDHCCFCAEQKAMGRDDFSKIPNGTAGIEDRMALLW
DAGVNSGRLSMHEFVALTSTNTAKIFNLFPRKGAIRVGADADLVLWDPQG
SRTLSAATHHQRVDFNIFEGRTVRGIPSHTISQGKLLWAAGDLRAEPGAG
RYVERPAYPSVYEVLGRRAERQRPVAVER
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 chain5e5c Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5e5c Crystal structure of dihydropyrimidinase from Pseudomonas aeruginosa PAO1: Insights into the molecular basis of formation of a dimer
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K150 H183 H239
Binding residue
(residue number reindexed from 1)		K150 H183 H239
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:5e5c, PDBe:5e5c, PDBj:5e5c
PDBsum5e5c
PubMed27576201
UniProtQ9I676|HYDA_PSEAE D-hydantoinase/dihydropyrimidinase (Gene Name=dht)

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