Structure of PDB 6ojb Chain A Binding Site BS02

Receptor Information
>6ojb Chain A (length=251) Species: 330879 (Aspergillus fumigatus Af293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GNYTTAKWQPAVGTKWQIELLYALNDTSVDAEIYDIDLFINDKSTIAGLQ
RAGRKVICYFSAGSYENWRPDKDKFKDSDLGHDLDDWPGEKWLNISSANV
RQIMLDRLDMARDKGCDGVDPDNVDGYDNDNGLDLTQADSISFVNFLANA
AHARNMSIGLKNAGDIIPSVIKNMQWSVNEQCAQYNECDTYAVFPQNGKP
VFHIEYPKGDKTNNDLSVTASQKNAACDFAGSANFSTVIKNMNLNNWVEY
C
Ligand information
Ligand IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain6ojb Chain C Residue 7 [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]
PDB6ojb Ega3 from the fungal pathogenAspergillus fumigatusis an endo-alpha-1,4-galactosaminidase that disrupts microbial biofilms.
Resolution2.093 Å
Binding residue
(original residue number in PDB)		P235 T257 V260
Binding residue
(residue number reindexed from 1)		P168 T190 V193
Annotation score5
Enzymatic activity
Enzyme Commision number 3.2.1.22: alpha-galactosidase.
External links