Structure of PDB 8wt1 Chain H Binding Site BS01

Receptor Information
>8wt1 Chain H (length=651) 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
FFKNGVRDYVWSPDGTFLITLTTLGDDETIEDREEPADLKPRVVERLYYK
SDASGFLDGKRAVLTRIDVLSGKSEALTGREEEIGSFAISPNGRTLAFVA
NRNEDPDTTFTRDIVLLDLESKAETNLTNGCGTFASLAWSPDGTKLAAIG
HDLAYLGATLHRLYVFEPERGTKRVLTADWDVHLGDAMVGDTHADAKGPG
PIWASDGSGLYVTASERGRVNLYFVSLAGPIVPVIEGNFHLYGLAIHPSE
QQAIAAISSPTSVGDLYAVSLADGTKTRLTRANEALENEVVFADAEPFTY
RSADGLEIQGWIMKPPELEGEKAPLVVEIHGGPHAMYGFTFFHELQLLAS
SGYAVLFTNPRGSHGYGQSFVNAVRGDYGGMDYEDIMAGVDAAISKFDFI
DKERLGVTGGSYGGFMTNWIVGHTDRFKAAVTQRSISNWLSFSGVSDIGY
FFTKWEVGCDVWEDAERLWHHSPLKYVKHMRTPLLILHSERDYRCPIEQA
EQLFVALKQLGRETKLVRFPDANHDLSRTGNPALRLERLRHIVDWFDRYL
K
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 H Residue 712 [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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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 L605 H606 F637 R656
Binding residue
(residue number reindexed from 1)		Q533 R534 L587 H588 F619 R638
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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