Structure of PDB 2fvk Chain B Binding Site BS03

Receptor Information
>2fvk Chain B (length=532) Species: 4934 (Lachancea kluyveri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PIYDLIIKNGIICTASDIYAAEIAVNNGKVQLIAASIDPSLGSEVIDAEG
AFITPGGIDAHVHVDEPLKLLGDVVDTMEHATRSAVAGGTTTVVAFSTQD
VSKKGPSALAESVKLDVDEYSEQTLYCDYGLHLILFQIEKPSVEARELLD
VQLQAAYNDYGVSSVKMFMTYPGLQISDYDIMSAMYATRKNGFTTMLHAE
NGDMVKWMIEALEEQGLTDAYYHGVSRPSIVEGEATNRAITLATTMDTPI
LFVHVSSPQAAEVIKQAQTKGLKVYAETCPQYALLSDAITRCHGVGIDLS
SISESPFTNPDDRFIGSKYICSPPIRPEGTQKSIWKGMNNGTFTIVGSDH
CSYNYYEKTSTASKHRAFDPENNKNGEFRYIPNGLPGVCTRMPLLYDYGY
LRGNLTSMMKLVEIQCTNPAKVYGMYPQKGSILPGVSDADLVIWYPDDSK
KEYNSKPKLITNKLMEHNCDYTPFEGIEIKNWPRYTIVKGKIVYKEGEIL
KENADGKYLKRGKSFMCTPKNEWVTEWRPKYE
Ligand information
Ligand IDDUC
InChIInChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)
InChIKeyOIVLITBTBDPEFK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O=C1CCNC(=O)N1
ACDLabs 10.04O=C1NC(=O)NCC1
OpenEye OEToolkits 1.5.0C1CNC(=O)NC1=O
FormulaC4 H6 N2 O2
NameDIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE;
DIHYDROURACIL
ChEMBL
DrugBankDB01849
ZINCZINC000000895228
PDB chain2fvk Chain B Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2fvk The Crystal Structures of Dihydropyrimidinases Reaffirm the Close Relationship between Cyclic Amidohydrolases and Explain Their Substrate Specificity.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H255 C330 S331 D358 N392
Binding residue
(residue number reindexed from 1)		H254 C321 S322 D349 N383
Annotation score5
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:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2fvk, PDBe:2fvk, PDBj:2fvk
PDBsum2fvk
PubMed16517602
UniProtQ9P903|DPYS_LACK1 Dihydropyrimidinase (Gene Name=PYD2)

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