Structure of PDB 5nzi Chain A Binding Site BS01
Receptor Information
>5nzi Chain A (length=482) Species:
5664
(Leishmania major) [
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SLSAAAQACVKKMRDAKVNEACIRTFIAQHVMVSKGETGSIPDSAIMPVD
SLDALDSLTIECDNAVLQSTVVLKLNGGLGTGMGLCDAKTLLEVKDGKTF
LDFTALQVQYLRQHCSEHLRFMLMDSFNTSASTKSFLKARYPWLYQVFDS
EVELMQNQVPKILQDTLEPAAWAENPAYEWAPPGHGDIYTALYGSGKLQE
LVEQGYRYMFVSNGDNLGATIDKRVLAYMEKEKIDFLMEVCRRTESDKKG
GHLARQTVYVKGKDGQPDAEKRVLLLRESAQCPKADMESFQDINKYSFFN
TNNLWIRLPVLLETMQEHGGTLPLPVIRNEKTVDSSNSASPKVYQLETAM
GAAIAMFESASAIVVPRFRFAPVKTCADLLALRSDAYVVTDDFRLVLDDR
CHGHPPVVDLDSAHYKMMNGFEKLVQHGVPSLVECKRVTVKGLVQFGAGN
VLTGTVTIENTDSASAFVIPDGAKLNDTTASP
Ligand information
Ligand ID
UPG
InChI
InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
InChIKey
HSCJRCZFDFQWRP-JZMIEXBBSA-N
SMILES
Software
SMILES
CACTVS 3.370
OC[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 12.01
O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O
CACTVS 3.370
OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
OpenEye OEToolkits 1.7.6
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O
Formula
C15 H24 N2 O17 P2
Name
URIDINE-5'-DIPHOSPHATE-GLUCOSE;
URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER
ChEMBL
CHEMBL375951
DrugBank
DB01861
ZINC
ZINC000008215472
PDB chain
5nzi Chain A Residue 601 [
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Receptor-Ligand Complex Structure
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PDB
5nzi
Decoding Allosteric Networks in Biocatalysts: Rational Approach to Therapies and Biotechnologies
Resolution
2.05 Å
Binding residue
(original residue number in PDB)
L81 G83 G84 Q162 G190 H191 N219 G256 G257 E284 N306 N308 F376 K380
Binding residue
(residue number reindexed from 1)
L75 G77 G78 Q156 G184 H185 N213 G250 G251 E278 N300 N302 F370 K374
Annotation score
4
Enzymatic activity
Enzyme Commision number
2.7.7.9
: UTP--glucose-1-phosphate uridylyltransferase.
Gene Ontology
Molecular Function
GO:0003983
UTP:glucose-1-phosphate uridylyltransferase activity
GO:0016779
nucleotidyltransferase activity
GO:0070569
uridylyltransferase activity
Biological Process
GO:0005977
glycogen metabolic process
GO:0006011
UDP-glucose metabolic process
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0031981
nuclear lumen
GO:0097014
ciliary plasm
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:5nzi
,
PDBe:5nzi
,
PDBj:5nzi
PDBsum
5nzi
PubMed
UniProt
Q4QDU3
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