Structure of PDB 2yik Chain A Binding Site BS04

Receptor Information

>2yik Chain A (length=493) Species: 1515 (Acetivibrio thermocellus)

YNYAKALQYSMFFYDANMCGTGVDENSLLSWRGDCHVYDARLPLDSQNTN
MSDGFISSNRSVLDPDGDGKVDVSGGFHDAGDHVKFGLPEAYAASTVGWG
YYEFKDQFRATGQAVHAEVILRYFNDYFMRCTFRDASGNVVAFCHQVGDG
DIDHAFWGAPENDTMFRRGWFITKEKPGTDIISATAASLAINYMNFKDTD
PQYAAKSLDYAKALFDFAEKNPKGVVQGEDGPKGYYGSSKWQDDYCWAAA
WLYLATQNEHYLDEAFKYYDYYAPPGWIHCWNDVWSGTACILAEINDLYD
KDSQNFEDRYKRASNKNQWEQIDFWKPIQDLLDKWSGGGITVTPGGYVFL
NQWGSARYNTAAQLIALVYDKHHGDTPSKYANWARSQMDYLLGKNPLNRC
YVVGYSSNSVKYPHHRAASGLKDANDSSPHKYVLYGALVGGPDASDQHVD
RTNDYIYNEVAIDYNAAFVGACAGLYRFFGDSSMQIDPSMPSH

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: 2yik Chain A Residue 1533

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2yik Structure of the Catalytic Domain of the Clostridium Thermocellum Cellulase Celt
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): C56 C72 H73 H115
• Binding residue (residue number reindexed from 1): C19 C35 H36 H78
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D116 D119 Y273 E496
• Catalytic site (residue number reindexed from 1): D79 D82 Y236 E459
• Enzyme Commision number: 3.2.1.-

Gene Ontology

Molecular Function

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

Biological Process

• GO:0000272 polysaccharide catabolic process
• GO:0005975 carbohydrate metabolic process
• GO:0030245 cellulose catabolic process

External links

• PDB: RCSB:2yik, PDBe:2yik, PDBj:2yik
• PDBsum: 2yik
• PubMed: 22349233
• UniProt: A3DJ82