Structure of PDB 2fvm Chain B Binding Site BS03

Receptor Information
>2fvm 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 IDURP
InChIInChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
InChIKeyJSJWCHRYRHKBBW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCNC(=O)N
OpenEye OEToolkits 1.5.0C(CNC(=O)N)C(=O)O
CACTVS 3.341NC(=O)NCCC(O)=O
FormulaC4 H8 N2 O3
NameN-(AMINOCARBONYL)-BETA-ALANINE;
N-CARBAMYL-BETA-ALANINE;
BETA-UREIDOPROPIONATE
ChEMBLCHEMBL20962
DrugBank
ZINCZINC000082071923
PDB chain2fvm 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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PDB2fvm The Crystal Structures of Dihydropyrimidinases Reaffirm the Close Relationship between Cyclic Amidohydrolases and Explain Their Substrate Specificity.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		H64 C330 S331 D358 N392 G393
Binding residue
(residue number reindexed from 1)		H63 C321 S322 D349 N383 G384
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:2fvm, PDBe:2fvm, PDBj:2fvm
PDBsum2fvm
PubMed16517602
UniProtQ9P903|DPYS_LACK1 Dihydropyrimidinase (Gene Name=PYD2)

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