Structure of PDB 1sio Chain B Binding Site BS02

Receptor Information

>1sio Chain B (length=355) Species: 192387 (Alicyclobacillus sendaiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

APTAYTPLDVAQAYQFPEGLDGQGQCIAIIELGGGYDEASLAQYFASLGV
PAPQVVSVSVDGASNQPTGDPSGPDGEVELDIEVAGALAPGAKFAVYFAP
NTDAGFLDAITTAIHDPTLKPSVVSISWGGPEDSWTSAAIAAMNRAFLDA
AALGVTVLAAAGDSGSTDGEQDGLYHVDFPAASPYVLACGGTRLVASGGR
IAQETVWNDGPDGGATGGGVSRIFPLPAWQEHANVPPSANPGASSGRGVP
DLAGNADPATGYEVVIDGEATVIGGTSAVAPLFAALVARINQKLGKAVGY
LNPTLYQLPADVFHDITEGNNDIANRAQIYQAGPGWDPCTGLGSPIGVRL
LQALL

Ligand information

Ligand ID

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

Name

CALCIUM ION

PDB chain

1sio Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1sio Crystallographic and biochemical investigations of kumamolisin-As, a serine-carboxyl peptidase with collagenase activity
Resolution	1.8 Å
Binding residue (original residue number in PDB)	D316 I317 G334 G336 D338
Binding residue (residue number reindexed from 1)	D315 I316 G333 G335 D337
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	E78 D82 D164 S278
Catalytic site (residue number reindexed from 1)	E77 D81 D163 S277
Enzyme Commision number	?

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:1sio, PDBe:1sio, PDBj:1sio
PDBsum	1sio
PubMed	15014068
UniProt	Q8GB88

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