Structure of PDB 4dsh Chain B Binding Site BS02

Receptor Information
>4dsh Chain B (length=465) Species: 5693 (Trypanosoma cruzi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPKIVIIGAGPTGLGAAVRLTELGYKNWHLYECNDTPGGLSRSFLDENGF
TWDLGGHVIFSHYQYFDDVMDWAVQGWNVLQRESWVWVRGRWVPYPFQNN
IHRLPEQDRKRCLDELVRSHARTYTEPPNNFEESFTRQFGEGIADIFMRP
YNFKVWAVPPCLMSTEWVEERVAPVDLERIRRNIQENRDDLGWGPNATFR
FPQRGGTGIIYQAIKEKLPSEKLTFNSGFQAIAIDADAKTITFSNGEVVS
YDYLISTVPFDNLLRMTKGTGFKGYDEWPAIADKMVYSSTNVIGIGVKGT
PPPHLKTACWLYFPEDTSPFYRATVFSNYSKYNVPEGHWSLMLEVSESKY
KPVNHSTLIEDCIVGCLASNLLLPEDLLVSKWHYRIEKGYPTPFIGRNNL
LEKAQPELMSRCIYSRGRFGAWRYEVGNQDHSFMQGVEAIDHVLGLATEE
TTVANPGRVNTHFGL
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 chain4dsh Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4dsh Crystal Structures of Trypanosoma cruzi UDP-Galactopyranose Mutase Implicate Flexibility of the Histidine Loop in Enzyme Activation.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		Y100 P101 F102 Q103 F152 M153 N157 R176 Y317 R327 Y395 Y429
Binding residue
(residue number reindexed from 1)		Y95 P96 F97 Q98 F147 M148 N152 R171 Y312 R322 Y390 Y424
Annotation score2
Enzymatic activity
Enzyme Commision number 5.4.99.9: UDP-galactopyranose mutase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:4dsh, PDBe:4dsh, PDBj:4dsh
PDBsum4dsh
PubMed22646091
UniProtQ4E1W2

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