Structure of PDB 2qha Chain A Binding Site BS01

Receptor Information

>2qha Chain A (length=336) Species: 1423 (Bacillus subtilis)

HTVSPVNPNAQQTTKTVMNWLAHLPNRTENRVLSGAFGGYSHDTFSMAEA
DRIRSATGQSPAIYGCDYARGWLETANIEDSIDVSCNSDLMSYWKNGGIP
QISLHLANPAFQSGHFKTPITNDQYKKILDSSTAEGKRLNAMLSKIADGL
QELENQGVPVLFRPLHEMNGEWFWWGLTSYNQKDNERISLYKQLYKKIYH
YMTDTRGLDHLIWVYSPDANRDFKTDFYPGASYVDIVGLDAYFQDAYSIN
GYDQLTALNKPFAFTEVGPQTANGSFDYSLFINAIKQRYPKTIYFLAWND
EWSPAVNKGASALYHDSWTLNKGEIWNGDSLTPIVE

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 2qha Chain A Residue 2001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2qha From Structure to Function: Insights into the Catalytic Substrate Specificity and Thermostability Displayed by Bacillus subtilis Mannanase BCman
• Resolution: 1.45 Å
• Binding residue (original residue number in PDB): H1 H23 E336
• Binding residue (residue number reindexed from 1): H1 H23 E336
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.78: mannan endo-1,4-beta-mannosidase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0016787 hydrolase activity
• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0016985 mannan endo-1,4-beta-mannosidase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006080 substituted mannan metabolic process

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:2qha, PDBe:2qha, PDBj:2qha
• PDBsum: 2qha
• PubMed: 18455734
• UniProt: Q5PSP8