Structure of PDB 1apv Chain E Binding Site BS02
Receptor Information
>1apv Chain E (length=323) Species:
5079
(Penicillium janthinellum) [
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AASGVATNTPTANDEEYITPVTIGGTTLNLNFDTGSADLWVFSTELPASQ
QSGHSVYNPSATGKELSGYTWSISYGDGSSASGNVFTDSVTVGGVTAHGQ
AVQAAQQISAQFQQDTNNDGLLGLAFSSINTVQPQSQTTFFDTVKSSLAQ
PLFAVALKHQQPGVYDFGFIDSSKYTGSLTYTGVDNSQGFWSFNVDSYTA
GSQSGDGFSGIADTGTTLLLLDDSVVSQYYSQVSGAQQDSNAGGYVFDCS
TNLPDFSVSISGYTATVPGSLINYGPSGDGSTCLGGIQSNSGIGFSIFGD
IFLKSQYVVFDSDGPQLGFAPQA
Ligand information
Ligand ID
MAN
InChI
InChI=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
InChIKey
WQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341
OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0
C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04
OC1C(O)C(OC(O)C1O)CO
Formula
C6 H12 O6
Name
alpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBL
CHEMBL365590
DrugBank
ZINC
ZINC000003860903
PDB chain
1apv Chain E Residue 328 [
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Receptor-Ligand Complex Structure
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PDB
1apv
Crystallographic analysis of transition state mimics bound to penicillopepsin: difluorostatine- and difluorostatone-containing peptides.
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
S3 G35
Binding residue
(residue number reindexed from 1)
S3 G35
Annotation score
4
Enzymatic activity
Enzyme Commision number
3.4.23.20
: penicillopepsin.
Gene Ontology
Molecular Function
GO:0004190
aspartic-type endopeptidase activity
Biological Process
GO:0006508
proteolysis
Cellular Component
GO:0005576
extracellular region
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:1apv
,
PDBe:1apv
,
PDBj:1apv
PDBsum
1apv
PubMed
1567842
UniProt
P00798
|PEPA1_PENJA Penicillopepsin-1
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