Structure of PDB 8bbx Chain A Binding Site BS02

Receptor Information
>8bbx Chain A (length=483) Species: 5061 (Aspergillus niger) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTGEAYFEQLLDHHNPEKGTFSQRYWWSTEYWGGPGSPVVLFTPGEVSAD
GYEGYLTNETLTGVYAQEIQGAVILIEHRYWGDSSPYEVLNAETLQYLTL
DQAILDMTYFAETVKLQFDNSTRSNAQNAPWVMVGGSYSGALTAWTESVA
PGTFWAYHATSAPVEAIYDYWQYFYPIQQGMAQNCSKDVSLVAEYVDKIG
KNGTAKEQQALKELFGLGAVEHFDDFAAVLPNGPYLWQDNDFATGYSSFF
QFCDAVEGVEAGAAVTPGPEGVGLEKALANYANWFNSTILPDYCASYGYW
TDEWSVACFDSYNASSPIYTDTSVGNAVDRQWEWFLCNEPFFYWQDGAPE
GTSTIVPRLVSASYWQRQCPLYFPETNGYTYGSAKGKNAATVNSWTGGWD
MTRNTTRLIWTNGQYDPWRDSGVSSTFRPGGPLASTANEPVQIIPGGFHC
SDLYMADYYANEGVKKVVDNEVKQIKEWVEEYY
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 chain8bbx Chain D Residue 5 [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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PDB8bbx Structural and time-resolved mechanistic investigations of protein hydrolysis by the acidic proline-specific endoprotease from Aspergillus niger
Resolution2.7 Å
Binding residue
(original residue number in PDB)		A502 N503
Binding residue
(residue number reindexed from 1)		A460 N461
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8bbx, PDBe:8bbx, PDBj:8bbx
PDBsum8bbx
PubMed38059672
UniProtA0A3F3RXI7

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