Structure of PDB 4y7e Chain A Binding Site BS12

Receptor Information

>4y7e Chain A (length=302) Species: 285540 (Streptomyces thermolilacinus)

VTGLHVQGGRLLEGNGNDFVMRGVNHAHTWYPGQTRSLADIKALGANTVR
VVLSDGHRWTRNGPADVAAVIDRCKANRLICVLEVHDTTGYGEEPAAGTL
DHAADYWISLMDVLAGQEDYVIVNIGNEPWGNTDPAGWTAPTIAAVKKLR
AAGLAHTLMIDAPNWGQDWQGVMRADARSVYEADPTGNLLFSIHMYSVFD
TAAEIDDYLEAFVDAGLPLVIGAFGGPPDQWGDPDEDTMLAAAERLRLGY
LAWSWSGNTDPVLDLAIGFDPDRLSGWGQRVFHGVHGIGETSREATVFGK
LA

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: 4y7e Chain A Residue 418

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4y7e The loop structure of Actinomycete glycoside hydrolase family 5 mannanases governs substrate recognition
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): G276 D283 P284 E286
• Binding residue (residue number reindexed from 1): G226 D233 P234 E236
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): R100 N177 E178 H244 Y246 A273 W303
• Catalytic site (residue number reindexed from 1): R50 N127 E128 H194 Y196 A223 W253
• Enzyme Commision number: 3.2.1.4: cellulase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds

Biological Process

• GO:0000272 polysaccharide catabolic process

External links

• PDB: RCSB:4y7e, PDBe:4y7e, PDBj:4y7e
• PDBsum: 4y7e
• PubMed: 26257335
• UniProt: F5HR99