Structure of PDB 1ak9 Chain A Binding Site BS01
Receptor Information
>1ak9 Chain A (length=275) Species:
1390
(Bacillus amyloliquefaciens) [
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AQSVPYGVSQIKAPALHSQGYCGSNVKVAVIDSGIDSSHPDLKVAGGASF
VPSETNPFQDNNSHGTHVAGTVAALNNSIGVLGVAPCASLYAVKVLGADG
SGQYSWIINGIEWAIANNMDVINMSLGGPSGSAALKAAVDKAVASGVVVV
AAAGNEGTSGSSSTVGYPAKYPSVIAVGAVDSSNQRASFSSVGPELDVMA
PGVSIQSTLPGNKYGAKSGTSMASPHVAGAAALILSKHPNWTNTQVRSSL
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
1ak9 Chain A Residue 295 [
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Receptor-Ligand Complex Structure
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PDB
1ak9
Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding.
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
Q2 D41 L75 N77 I79 V81
Binding residue
(residue number reindexed from 1)
Q2 D41 L75 N77 I79 V81
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
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Molecular Function
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Biological Process
External links
PDB
RCSB:1ak9
,
PDBe:1ak9
,
PDBj:1ak9
PDBsum
1ak9
PubMed
2684274
UniProt
P00782
|SUBT_BACAM Subtilisin BPN' (Gene Name=apr)
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