Structure of PDB 3wqb Chain A Binding Site BS01

Receptor Information
>3wqb Chain A (length=597) Species: 646 (Aeromonas sobria) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEGCAPLTGKESGMDIGRSSTERCLPGANPLQDQQWYLLNSGQDGFSARG
GIAGNDLNLWWAHRTGVLGQGVNVAVVDDGLAIAHPDLADNVRPGSKNVV
TGSDDPTPTDPDTAHGTSVSGIIAAVDNAIGTKGIAPRAQLQGFNLLDDN
SQQLQKDWLYALGDSNASRDNRVFNQSYGMSVVDPRSANSLDQSQLDRLF
EQQTLKAQGAAYIKAAGNGFNKIAAGGYVLNRTGNGPKLPFENSNLDPSN
SNFWNLVVSALNADGVRSSYSSVGSNIFLSATGGEYGTDTPAMVTTDLPG
CDMGYNRTDDPSTNRLHGNSQLDASCDYNGVMNGTASATPSTSGAMALLM
SAYPDLSVRDLRDLLARSATRVDAKHQPVMVSYTSSTGKVRDVKGLEGWE
RNAAGMWFSPTYGFGLIDVNKALELAANHQPLPPLVQLPWQKINVTGSAA
AIADVGNSPTSSTTRIATPLTVEAVQVMVSLDHQRLPDLLIELVSPAGTR
SILLSPFNSLVGQSLDQQQLGFVRTKGLRDMRMLSNKFYGESAQGTWRLE
VTDVANGTRQVSLLNRETRERTTLTERNNRQPGKLISWSLRVLGHDA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3wqb Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3wqb Structural Basis for Action of the External Chaperone for a Propeptide-deficient Serine Protease from Aeromonas sobria.
Resolution1.41 Å
Binding residue
(original residue number in PDB)		N29 D87 V126 N128 I130 T132
Binding residue
(residue number reindexed from 1)		N29 D87 V126 N128 I130 T132
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D78 H115 N218 A336
Catalytic site (residue number reindexed from 1) D78 H115 N218 A336
Enzyme Commision number 3.4.21.121: Lys-Lys/Arg-Xaa endopeptidase.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005576 extracellular region
GO:0042597 periplasmic space

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3wqb, PDBe:3wqb, PDBj:3wqb
PDBsum3wqb
PubMed25784551
UniProtQ9L5A4|ASP_AERSO Aeromonas extracellular serine protease (Gene Name=asp)

[Back to BioLiP]