Structure of PDB 1gy8 Chain C Binding Site BS02

Receptor Information
>1gy8 Chain C (length=370) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMRVLVCGGAGYIGSHFVRALLRDTNHSVVIVDSLVGTHGKSDHVETRE
NVARKLQQSDGPKPPWADRYAALEVGDVRNEDFLNGVFTRHGPIDAVVHM
CAFLAVGESVRDPLKYYDNNVVGILRLLQAMLLHKCDKIIFSSSAAIFGN
PTMNAEPIDINAKKSPESPYGESKLIAERMIRDCAEAYGIKGICLRYFNA
CGAHEDGDIGEHYQGSTHLIPIILGRVMSDIAPDASTDKRMPIFGTDYPT
PDGTCVRDYVHVCDLASAHILALDYVEKLGPNDKSKYFSVFNLGTSRGYS
VREVIEVARKTTGHPIPVRECGRREGDPAYLVAASDKAREVLGWKPKYDT
LEAIMETSWKFQRTHPNGYA
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain1gy8 Chain C Residue 1383 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gy8 High-Resolution Crystal Structure of Trypanosoma Brucei Udp-Galactose 4'-Epimerase: A Potential Target for Structure-Based Development of Novel Trypanocides
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N202 H221 L222 I225 M252 P253 I254 F255 C266 R268 R335 D338
Binding residue
(residue number reindexed from 1)		N199 H218 L219 I222 M241 P242 I243 F244 C255 R257 R324 D327
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) S142 A143 A144 Y173 K177
Catalytic site (residue number reindexed from 1) S144 A145 A146 Y170 K174
Enzyme Commision number 5.1.3.2: UDP-glucose 4-epimerase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003978 UDP-glucose 4-epimerase activity
GO:0016853 isomerase activity
Biological Process
GO:0006012 galactose metabolic process
GO:0033499 galactose catabolic process via UDP-galactose
Cellular Component
GO:0005829 cytosol
GO:0020015 glycosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1gy8, PDBe:1gy8, PDBj:1gy8
PDBsum1gy8
PubMed12615316
UniProtQ8T8E9

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