Structure of PDB 3p5z Chain B Binding Site BS03

Receptor Information
>3p5z Chain B (length=220) Species: 187420 (Methanothermobacter thermautotrophicus str. Delta H) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVMDVMNRLILAMDLMNRDDALRVTGEVREYIDTVKIGYPLVLSEGMDII
AEFRKRFGCRIIADFKVADIPETNEKICRATFKAGADAIIVHGFPGADSV
RACLNVAEEMGREVFLLTEMSHPGAEMFIQGAADEIARMGVDLGVKNYVG
PSSRPERLSRLREIIGQDSFLISPGVGAQGGDPGETLRFADAIIVGRSIY
LADNPAAAAAGIIESIKDLL
Ligand information
Ligand IDPOL
InChIInChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
InChIKeyBDERNNFJNOPAEC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCO
ACDLabs 10.04OCCC
FormulaC3 H8 O
NameN-PROPANOL;
1-PROPONOL
ChEMBLCHEMBL14687
DrugBankDB03175
ZINCZINC000000895969
PDB chain3p5z Chain B Residue 231 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3p5z Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		A208 N210 A213 A214
Binding residue
(residue number reindexed from 1)		A202 N204 A207 A208
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K42 D70 K72 D75
Catalytic site (residue number reindexed from 1) K36 D64 K66 D69
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:3p5z, PDBe:3p5z, PDBj:3p5z
PDBsum3p5z
PubMed23030629
UniProtO26232|PYRF_METTH Orotidine 5'-phosphate decarboxylase (Gene Name=pyrF)

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