Structure of PDB 7xgx Chain B Binding Site BS01

Receptor Information
>7xgx Chain B (length=591) Species: 272624 (Legionella pneumophila subsp. pneumophila str. Philadelphia 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQYWRFKLMTEGGCNQNEATRLITVLKRSINKLFENDNFCNRLSSYMAYG
FGAAEEWIKKQQILSNIQPLTPNIFGAAITFGKSPVVKLLKQNAREICES
ILMDEPNLKQVEYIFRLLALQVQETYSGEQAEKLYECIRDKKPIPSKFEE
ILLPIVNRIKENHTEILNESKRNHLGVTIQLNDPYSFSTKNSFCIWFSNN
PNSAMPKKIKDILEERAKQNAPGVTKLVYSRACLTKKENTNFVQWAKENG
ITLLDFDELKCQGEDLELWNLAQAELKAMREGKGGNPAAASDLVRWISGV
IGDVPIAYVDADMPMLTGNKSIKSEEVYAGHPVLLNMGSALVKDGVNLPM
ENVAFNTDIINFTGECKDRSIAIKRIAQSLIGNYLHVTERISKSGNPELK
RLGLMPGYHQLLKDCEENNNKLSLPMLRKALTQAHSNLSSYVRFIGVQRF
AEMVGAPEDAPLFQEALQQGNTIVLTNALVAYLVHGMDNVSRLNSSEKEN
LIKKYLGTQLSLLYKPLVMEFSGPCAVTREILPLLPTGEPTRYIENLKQP
DAQILRVLQTHACVAGKTNFTSDNIPNWITSSEELSWMPSE
Ligand information
Ligand IDUPG
InChIInChI=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
InChIKeyHSCJRCZFDFQWRP-JZMIEXBBSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[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 12.01O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O
CACTVS 3.370OC[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 1.7.6C1=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 1.7.6C1=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
FormulaC15 H24 N2 O17 P2
NameURIDINE-5'-DIPHOSPHATE-GLUCOSE;
URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER
ChEMBLCHEMBL375951
DrugBankDB01861
ZINCZINC000008215472
PDB chain7xgx Chain B Residue 701 [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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PDB7xgx Structural Basis for the Action Mechanism of Legionella Glycosyltransferase.
Resolution2.39 Å
Binding residue
(original residue number in PDB)		I223 W224 F225 P315 S319 D320 R323 D338 V546 S625 W626
Binding residue
(residue number reindexed from 1)		I195 W196 F197 P287 S291 D292 R295 D310 V518 S586 W587
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links