Structure of PDB 8wt1 Chain E Binding Site BS01

Receptor Information
>8wt1 Chain E (length=650) Species: 1366047 (Geobacillus stearothermophilus ATCC 12980) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LYFQGTDLLRLRSVRDPHYAPDGTRAVFVEKSIDEEKQYRSHLWIWAADG
SVRQWTFGRWRDMKPRFSPRGEIIAFLSDRSGRTQLWLLPANGGEARQLT
FFKNGVRDYVWSPDGTFLITLTTLGDDETIEDREEPLKPRVVERLYYKSD
ASGFLDGKRAVLTRIDVLSGKSEALTGREEEIGSFAISPNGRTLAFVANR
NEDPDTTFTRDIVLLDLESKAETNLTNGCGTFASLAWSPDGTKLAAIGHD
LAYLGATLHRLYVFEPERGTKRVLTADWDVHLGDAMVGDTHADAKGPGPI
WASDGSGLYVTASERGRVNLYFVSLAGPIVPVIEGNFHLYGLAIHPSEQQ
AIAAISSPTSVGDLYAVSLADGTKTRLTRANEALENEVVFADAEPFTYRS
ADGLEIQGWIMKPPELDEGEKAPLVVEIHGGPHAMYGFTFFHELQLLASS
GYAVLFTNPRGSHGYGQSFVNAVRGDYGGMDYEDIMAGVDAAISKFDFID
KERLGVTGGSYGGFMTNWIVGHTDRFKAAVTQRSISNWLSFSGVSDIGYF
FTKWEVGCDVWEDAERLWHHSPLKYVKHMRTPLLILHSERDYRCPIEQAE
QLFVALKQLGRETKLVRFPDANHDLSRTGNPALRLERLRHIVDWFDRYLK
Ligand information
Ligand IDALA
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKeyQNAYBMKLOCPYGJ-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)O)N
CACTVS 3.341C[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C
CACTVS 3.341C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)O)N
FormulaC3 H7 N O2
NameALANINE
ChEMBLCHEMBL279597
DrugBankDB00160
ZINCZINC000004658553
PDB chain8wt1 Chain E Residue 715 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8wt1 Crystal structure and solution scattering of Geobacillus stearothermophilus S9 peptidase reveal structural adaptations for carboxypeptidase activity.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Q551 R552 R656
Binding residue
(residue number reindexed from 1)		Q532 R533 R637
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008233 peptidase activity
GO:0008236 serine-type peptidase activity
GO:0016787 hydrolase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8wt1, PDBe:8wt1, PDBj:8wt1
PDBsum8wt1
PubMed38426217
UniProtA0A3L7D5Q2

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