Structure of PDB 2xgm Chain A Binding Site BS01

Receptor Information
>2xgm Chain A (length=512) Species: 339 (Xanthomonas campestris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEAVARLGRVRWTQQRHAEAAVLLQQASDAAPEHPGIALWLGHALEDAGQ
AEAAAAAYTRAHQLLPEEPYITAQLLNWRRRLCDWRALDVLSAQVRAAVA
QGVGAVEPFAFLSEDASAAEQLACARTRAQAIAASVRPLAPTRVRSKGPL
RVGFVSNGFGAHPTGLLTVALFEALQRRQPDLQMHLFATSGDDGSTLRTR
LAQASTLHDVTALGHLATAKHIRHHGIDLLFDLRGWGGGGRPEVFALRPA
PVQVNWLAYPGTSGAPWMDYVLGDAFALPPALEPFYSEHVLRLQGAFQPS
DTSRVVAEPPSRTQCGLPEQGVVLCCFNNSYKLNPQSMARMLAVLREVPD
SVLWLLSGPGEADARLRAFAHAQGVDAQRLVFMPKLPHPQYLARYRHADL
FLDTHPYNAHTTASDALWTGCPVLTTPGETFAARVAGSLNHHLGLDEMNV
ADDAAFVAKAVALASDPAALTALHARVDVLRRASGVFHMDGFADDFGALL
QALARRHGWLGI
Ligand information
Ligand IDLXN
InChIInChI=1S/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)
InChIKeyHIMXGTXNXJYFGB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1C(=O)NC(=O)NC1=O
CACTVS 3.352O=C1NC(=O)C(=O)C(=O)N1
OpenEye OEToolkits 1.6.1C1(=O)C(=O)NC(=O)NC1=O
FormulaC4 H2 N2 O4
NameALLOXAN;
MESOXALYLUREA
ChEMBLCHEMBL1096009
DrugBank
ZINCZINC000001631379
PDB chain2xgm Chain A Residue 1569 [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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PDB2xgm Substrate and Product Analogues as Human O-Glcnac Transferase Inhibitors.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		L442 H444 Y447
Binding residue
(residue number reindexed from 1)		L386 H388 Y391
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=3.00,Kd=1mM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2xgm, PDBe:2xgm, PDBj:2xgm
PDBsum2xgm
PubMed20640461
UniProtQ8PC69

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