Structure of PDB 8b57 Chain A Binding Site BS01

Receptor Information
>8b57 Chain A (length=485) Species: 5061 (Aspergillus niger) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATTGEAYFEQLLDHHNPEKGTFSQRYWWSTEYWGGPGSPVVLFTPGEVSA
DGYEGYLTNETLTGVYAQEIQGAVILIEHRYWGDSSPYEVLNAETLQYLT
LDQAILDMTYFAETVKLQFDNSTRSNAQNAPWVMVGGSYSGALTAWTESV
APGTFWAYHATSAPVEAIYDYWQYFYPIQQGMAQNCSKDVSLVAEYVDKI
GKNGTAKEQQALKELFGLGAVEHFDDFAAVLPNGPYLWQDNDFATGYSSF
FQFCDAVEGVEAGAAVTPGPEGVGLEKALANYANWFNSTILPDYCASYGY
WTDEWSVACFDSYNASSPIYTDTSVGNAVDRQWEWFLCNEPFFYWQDGAP
EGTSTIVPRLVSASYWQRQCPLYFPETNGYTYGSAKGKNAATVNSWTGGW
DMTRNTTRLIWTNGQYDPWRDSGVSSTFRPGGPLASTANEPVQIIPGGFH
CSDLYMADYYANEGVKKVVDNEVKQIKEWVEEYYA
Ligand information
Ligand IDBMA
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-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
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
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
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain8b57 Chain C Residue 3 [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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PDB8b57 Structural and time-resolved mechanistic investigations of protein hydrolysis by the acidic proline-specific endoprotease from Aspergillus niger
Resolution2.42 Å
Binding residue
(original residue number in PDB)		G287 Y288 F292
Binding residue
(residue number reindexed from 1)		G246 Y247 F251
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008233 peptidase activity
GO:0008239 dipeptidyl-peptidase activity
GO:0070008 serine-type exopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8b57, PDBe:8b57, PDBj:8b57
PDBsum8b57
PubMed38059672
UniProtA0A3F3RXI7

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