Structure of PDB 8ihw Chain A Binding Site BS02

Receptor Information

>8ihw Chain A (length=433) Species: 6396 (Eisenia fetida)

QYNYDEVLEKSILFYEAERSGRLPANNRIPYRGDSALGDQGNQGQDLTGG
WYDAGDHVKFGFPMAFATTTLAWGILEFRDGYEAAGQYNLALDSIRWTLN
YFLKAHVSDNEFYGQVGDANTDHAYWGRPEDMTMERPAWSISPSAPGSDL
AAETAAALAAGYLVFRDSDAAFANNLLAHSRTLYDFALNNRGIYSQSISN
AAGFYASSAYEDELAWGAAWLYRATEEQEYLDRAYEFGTTTNTAWAYDWN
EKIVGYQLLLTTSAGQTDFLPRVENFLRNWFPGGSVQYTPLGLAWLAQWG
PNRYAANAAFIALVSAKYNILASESEQFARSQIHYMLGDAGRSYVVGFGN
NPPQQPHHRSSSCPDQPAECDWDEFNQPGPNYQILYGALVGGPDQNDQFE
DLRSDYIRNEVANDYNAGFQGAVAALRAIQLRD

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: 8ihw Chain A Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8ihw A single mutation Asp43Arg was increased 2.5-fold the catalytic activity and maintained the stability of cold-adapted endo-1,4-beta glucanase (Ef-EG2) from Eisenia fetida.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): A230 D233 E234 N271
• Binding residue (residue number reindexed from 1): A209 D212 E213 N250
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.4: cellulase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0008810 cellulase activity
• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0030245 cellulose catabolic process

External links

• PDB: RCSB:8ihw, PDBe:8ihw, PDBj:8ihw
• PDBsum: 8ihw
• UniProt: I2FI81