Structure of PDB 4fiy Chain B Binding Site BS01

Receptor Information
>4fiy Chain B (length=628) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSELAASLLSRVILPRPGEPLDVRKLYLEESTTNARRAHAPTRTSLQIGA
ESEVSFATYFNAFPASYWRRWTTCKSVVLRVQVTGAGRVDVYRTKATGAR
IFVEGHDFTGTEDQPAAVETEVVLQPFEDGGWVWFDITTDTAVTLHSGGW
YATSPAPGTANIAVGIPTFNRPADCVNALRELTADPLVDQVIGAVIVPDQ
GERKVRDHPDFPAAAARLGSRLSIHDQPNLGGSGGYSRVMYEALKNTDCQ
QILFMDDDIRLEPDSILRVLAMHRFAKAPMLVGGQMLNLQEPSHLHIMGE
VVDRSIFMWTAAPHAEYDHDFAEYPLNDNNSRSKLLHRRIDVDYNGWWTC
MIPRQVAEELGQPLPLFIKWDDADYGLRAAEHGYPTVTLPGAAIWHMAWS
DKDDAIDWQAYFHLRNRLVVAAMHWDGPKAQVIGLVRSHLKATLKHLACL
EYSTVAIQNKAIDDFLAGPEHIFSILESALPQVHRIRKSYPDAVVLPAAS
ELPPPLHKNKAMKPPVNPLVIGYRLARGIMHNLTAANPQHHRRPEFNVPT
QDARWFLLCTVDGATVTTADGCGVVYRQRDRAKMFALLWQSLRRQRQLLK
RFEEMRRIYRDALPTLSSKQKWETALLP
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 chain4fiy 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4fiy Tetrameric Structure of the GlfT2 Galactofuranosyltransferase Reveals a Scaffold for the Assembly of Mycobacterial Arabinogalactan.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		F169 R171 N229 G231 G232 F367
Binding residue
(residue number reindexed from 1)		F169 R171 N229 G231 G232 F367
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.288: galactofuranosylgalactofuranosylrhamnosyl-N-acetylglucosaminyl-diphospho- decaprenol beta-1,5/1,6-galactofuranosyltransferase.
Gene Ontology
Molecular Function
GO:0008921 lipopolysaccharide-1,6-galactosyltransferase activity
GO:0016740 transferase activity
GO:0016757 glycosyltransferase activity
GO:0035250 UDP-galactosyltransferase activity
GO:0035496 lipopolysaccharide-1,5-galactosyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0009103 lipopolysaccharide biosynthetic process
GO:0044038 cell wall macromolecule biosynthetic process
GO:0045227 capsule polysaccharide biosynthetic process
GO:0052573 UDP-D-galactose metabolic process
GO:0070592 cell wall polysaccharide biosynthetic process
GO:0071555 cell wall organization
GO:0071769 mycolate cell wall layer assembly
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4fiy, PDBe:4fiy, PDBj:4fiy
PDBsum4fiy
PubMed22707726
UniProtO53585|GLFT2_MYCTU Galactofuranosyltransferase GlfT2 (Gene Name=glfT2)

[Back to BioLiP]