Structure of PDB 1aqn Chain A Binding Site BS02
Receptor Information
>1aqn Chain A (length=275) Species:
1390
(Bacillus amyloliquefaciens) [
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AQSVPYGVSQIKAPALHSQGYCGSNVKVAVIDSGIDSSHPDLKVAGGASF
VPSETNPFQDNNSHGTHVAGTVAALNNSIGVLGVAPCASLYAVKVLGADG
SGQYSWIINGIEWAIANNMDVINMSLGGPSGSAALKAAVDKAVASGVVVV
AAAGNEGTSGSSSTVGYPAKYPSVIAVGAVDSSNQRASFSSVGPELDVMA
PGVSICSTLPGNKYGAKSGTSMASPHVAGAAALILSKHPNWTNTQVRSSL
ENTTTKLGDSFYYGKGLINVQAAAQ
Ligand information
Ligand ID
CA
InChI
InChI=1S/Ca/q+2
InChIKey
BHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
Formula
Ca
Name
CALCIUM ION
ChEMBL
DrugBank
DB14577
ZINC
PDB chain
1aqn Chain A Residue 297 [
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Receptor-Ligand Complex Structure
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PDB
1aqn
Atomic Coordinates for Subtilisin Bpn' (or Novo)
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
E195 D197
Binding residue
(residue number reindexed from 1)
E195 D197
Annotation score
4
Enzymatic activity
Catalytic site (original residue number in PDB)
D32 H64 N155 S221
Catalytic site (residue number reindexed from 1)
D32 H64 N155 S221
Enzyme Commision number
3.4.21.62
: subtilisin.
Gene Ontology
Molecular Function
GO:0004252
serine-type endopeptidase activity
GO:0008236
serine-type peptidase activity
Biological Process
GO:0006508
proteolysis
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:1aqn
,
PDBe:1aqn
,
PDBj:1aqn
PDBsum
1aqn
PubMed
UniProt
P00782
|SUBT_BACAM Subtilisin BPN' (Gene Name=apr)
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