Structure of PDB 5iju Chain B Binding Site BS01

Receptor Information

>5iju Chain B (length=178) Species: 1390 (Bacillus amyloliquefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HGYIKEPVSRAYMGALEKQTMGWTAAAQKYGSVIDNPQSVEGPKGFPAAG
PPDGRIASANGGSGQIDFGLDKQTADHWVKQNIRGGFNTFTWHYTAPHAT
SKWHYYITKKNWNPNKPLSRDEFELIGTVNHDGSKADTNLTHKIFVPTDR
SGYHIILGVWDVADTSNAFYNVIDVNLT

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

5iju Chain B Residue 301 [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	5iju Activity, stability and 3-D structure of the Cu(ii) form of a chitin-active lytic polysaccharide monooxygenase from Bacillus amyloliquefaciens.
Resolution	1.7 Å
Binding residue (original residue number in PDB)	N166 T168
Binding residue (residue number reindexed from 1)	N139 T141
Annotation score	4

External links

PDB	RCSB:5iju, PDBe:5iju, PDBj:5iju
PDBsum	5iju
PubMed	27722375

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