Structure of PDB 8cso Chain E Binding Site BS01

Receptor Information
>8cso Chain E (length=231) Species: 1125630 (Klebsiella pneumoniae subsp. pneumoniae HS11286) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHMVVALDYDNRDKALAFVDRIDPRDCRLKVGKEMFTLLGPQFVRDLHQ
RGFEVFLDLKFHDIPNTTARAVAAAAELGVWMVNVHASGGARMMTAAREA
LLPFGKDAPLLIAVTVLTSMESSDLQDLGITLSPADYAAKLAALTQRCGL
DGVVCSAQEAVRFKHELGQAFKLVTPGIRPQGSDAGDQRRIMTPEQAQEA
GVDYMVIGRPVTQSADPAATLRAINDSLRKG
Ligand information
Ligand IDU5P
InChIInChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyDJJCXFVJDGTHFX-XVFCMESISA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
FormulaC9 H13 N2 O9 P
NameURIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL214393
DrugBankDB03685
ZINCZINC000002123545
PDB chain8cso Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8cso Crystal Structure of Orotidine 5'-phosphate decarboxylase from Klebsiella pneumoniae in complex with Guanosine-5'-monophosphate
Resolution2.6 Å
Binding residue
(original residue number in PDB)		D5 K27 K56 T114 P172 R175 G204 R205
Binding residue
(residue number reindexed from 1)		D9 K31 K60 T118 P176 R179 G208 R209
Annotation score3
Enzymatic activity
Enzyme Commision number 4.1.1.23: orotidine-5'-phosphate decarboxylase.
Gene Ontology
Molecular Function
GO:0004590 orotidine-5'-phosphate decarboxylase activity
GO:0016831 carboxy-lyase activity
Biological Process
GO:0006207 'de novo' pyrimidine nucleobase biosynthetic process
GO:0006221 pyrimidine nucleotide biosynthetic process
GO:0044205 'de novo' UMP biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8cso, PDBe:8cso, PDBj:8cso
PDBsum8cso
PubMed
UniProtA0A0H3GNE4

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