Structure of PDB 4b4f Chain B Binding Site BS05

Receptor Information

>4b4f Chain B (length=420) Species: 2021 (Thermobifida fusca)

EKVDNPFEGAKLYVNPVWSAKAAAEPGGSAVANESTAVWLDRIGAIEGND
SPTTGSMGLRDHLEEAVRQSGGDPLTIQVVIYNLPGRDCAALASNGELGP
DELDRYKSEYIDPIADIMWDFADYENLRIVAIIEIDSLPNLVTNVGGNGG
TELCAYMKQNGGYVNGVGYALRKLGEIPNVYNYIDAAHHGWIGWDSNFGP
SVDIFYEAANASGSTVDYVHGFISNTANYSATVEPYLDVNGTVNGQLIRQ
SKWVDWNQYVDELSFVQDLRQALIAKGFRSDIGMLIDTSRNGWGGPNRPT
GPSSSTDLNTYVDESRIDRRIHPGNWCNQAGAGLGERPTVNPAPGVDAYV
WVKPPGESDGASEEIPNDEGKGFDRMCDPTYQGNARNGNNPSGALPNAPI
SGHWFSAQFRELLANAYPPL

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: 4b4f Chain B Residue 607

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4b4f The Structure of a Bacterial Cellobiohydrolase: The Catalytic Core of the Thermobifida Fusca Family Gh6 Cellobiohydrolase Cel6B.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): D142 H358 D419
• Binding residue (residue number reindexed from 1): D4 H220 D281
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): Y220 R225 D226 S232 D274 D497
• Catalytic site (residue number reindexed from 1): Y82 R87 D88 S94 D136 D359
• Enzyme Commision number: 3.2.1.-

Gene Ontology

Molecular Function

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

Biological Process

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

External links

• PDB: RCSB:4b4f, PDBe:4b4f, PDBj:4b4f
• PDBsum: 4b4f
• PubMed: 23220193
• UniProt: Q60029