Structure of PDB 2ccr Chain A Binding Site BS06

Receptor Information

>2ccr Chain A (length=386) Species: 1402 (Bacillus licheniformis)

GLYVEKVSGLRKDFIKGVDVSSIIALEESGVAFYNESGKKQDIFKTLKEA
GVNYVRVRIWNDPYDANGNGYGGGNNDLEKAIQIGKRATANGMKLLADFH
YSDFWADPAKQKAPKAWANLNFEDKKTALYQYTKQSLKAMKAAGIDIGMV
QVGNETNGGLAGETDWAKMSQLFNAGSQAVRETDSNILVALHFTNPETSG
RYAWIAETLHRHHVDYDVFASSYYPFWHGTLKNLTSVLTSVADTYGKKVM
VAETSYTYTAEDGDGHGNTAPKNGQTLNNPVTVQGQANAVRDVIQAVSDV
GEAGIGVFYWEPAWIPVGPAHRLEKNKALWETYGSGWATSYAAEYDPEDA
GKWFGGSAVDNQALFDFKGRPLPSLHVFQYVDTGTP

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 2ccr Chain A Residue 1397

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2ccr Investigating the Binding of Beta-1,4-Galactan to Bacillus Licheniformis Beta-1,4-Galactanase by Crystallography and Computational Modeling.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): D272 D274 H276 N278 S367 D370
• Binding residue (residue number reindexed from 1): D262 D264 H266 N268 S357 D360
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): R66 E165 E263
• Catalytic site (residue number reindexed from 1): R56 E155 E253
• Enzyme Commision number: 3.2.1.-
  3.2.1.89: arabinogalactan endo-beta-1,4-galactanase.

Gene Ontology

Molecular Function

• GO:0015926 glucosidase activity

External links

• PDB: RCSB:2ccr, PDBe:2ccr, PDBj:2ccr
• PDBsum: 2ccr
• PubMed: 19089956
• UniProt: Q65CX5|GANB_BACLD Endo-beta-1,4-galactanase (Gene Name=ganB)