Structure of PDB 5x2i Chain A Binding Site BS01

Receptor Information

>5x2i Chain A (length=399) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ADLGHQTLGSNDGWGAYSTGTTGGSKASSSNVYTVSNRNQLVSALGKETN
TTPKIIYIKGTIDMNVDDNLKPLGLNDYKDPEYDLDKYLKAYDPSTWGKK
EPSGTQEEARARSQKNQKARVMVDIPANTTIVGSGTNAKVVGGNFQIKSD
NVIIRNIEFQDAYDYFPQWDPTDGSSGNWNSQYDNITINGGTHIWIDHCT
FNDGSRPDSTSPKYYGRKYQHHDGQTDASNGANYITMSYNYYHDHDKSSI
FGSSDSKTSDDGKLKITLHHNRYKNIVQRAPRVRFGQVHVYNNYYEGSTS
SSSYPFSYAWGIGKSSKIYAQNNVIDVPGLSAAKTISVFSGGTALYDSGT
LLNGTQINASAANGLSSSVGWTPSLHGSIDASANVKSNVINQAGAGKLN

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

5x2i Chain A Residue 501 [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	5x2i Polygalacturonate Lyase by Fusing with a Self-assembling Amphipathic Peptide
Resolution	2.05 Å
Binding residue (original residue number in PDB)	D218 D257 D261
Binding residue (residue number reindexed from 1)	D184 D223 D227
Annotation score	4

Enzymatic activity

Enzyme Commision number

4.2.2.2: pectate lyase.

Gene Ontology

	Molecular Function
GO:0016829	lyase activity
GO:0030570	pectate lyase activity
GO:0046872	metal ion binding

	Biological Process
GO:0045490	pectin catabolic process

	Cellular Component
GO:0005576	extracellular region

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Cellular Component

External links

PDB	RCSB:5x2i, PDBe:5x2i, PDBj:5x2i
PDBsum	5x2i
PubMed
UniProt	P39116\|PLY_BACSU Pectate lyase (Gene Name=pel)

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