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Structure of PDB 3qw4 Chain C Binding Site BS02

Receptor Information >3qw4 Chain C (length=447) Species: 5661 (Leishmania donovani) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] TMSFFDLLNERAKRSLLCVGLDPRAKTAAAAVEECKRLIEQTHEYAAAYK PNAAFFEFFGAEGWAALSEVIRAVPAGIPVVLDAKRGDIADTADAYATSA FKHLNAHAITASPYMGSDSLQPFMRYPDKAVFVLCKTSNKGSNDLQCLRV GDRYLYEAVAERAEGPWNVNGNVGLVVGATDPVALARVRARAPTLWFLVP GIGAQGGSLKASLDAGLRADGSGMLINVSRGLARAADPRAAAKELCEEIN AIRFKGASVELAKALVDSHCVRFGNFTLKSGKSSPIYIDLRRLVTYPAIM RLVAREYAKVLRHYKFDRIAGLPYAALPIASAISNEMNVPLIYPRREAKA AIEGEYKKGDRVVIIDDLVSTGETKVEAIEKLRSAGLEVVSIVVLVDRDM GAKAFLNKLGYDFEAVVGLHQLLPLWRKSNAITSQQEADVRAFLGQW

Ligand information Ligand ID U5P InChI InChI=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 InChIKey DJJCXFVJDGTHFX-XVFCMESISA-N SMILES Software SMILES ACDLabs 10.04 O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O CACTVS 3.341 O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O OpenEye OEToolkits 1.5.0 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O OpenEye OEToolkits 1.5.0 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O CACTVS 3.341 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O Formula C9 H13 N2 O9 P Name URIDINE-5'-MONOPHOSPHATE ChEMBL CHEMBL214393 DrugBank DB03685 ZINC ZINC000002123545 PDB chain 3qw4 Chain C Residue 7485 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 3qw4 The Leishmania donovani UMP synthase is essential for promastigote viability and has an unusual tetrameric structure that exhibits substrate-controlled oligomerization. Resolution 3.0 Å Binding residue (original residue number in PDB) K279 Y287 I288 R291 D371 D372 L373 S375 G377 E378 T379 R403 Binding residue (residue number reindexed from 1) K279 Y287 I288 R291 D366 D367 L368 S370 G372 E373 T374 R398 Annotation score 3

Enzymatic activity Enzyme Commision number 4.1.1.23: orotidine-5'-phosphate decarboxylase.

Gene Ontology Molecular Function GO:0004588 orotate phosphoribosyltransferase activity GO:0004590 orotidine-5'-phosphate decarboxylase activity GO:0016757 glycosyltransferase 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:0005737	cytoplasm

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