Structure of PDB 1ktw Chain B Binding Site BS01

Receptor Information

>1ktw Chain B (length=457)

VSPKTYKDADFYVAPTQQDVNYDLVDDFGANGNDTSDDSNALQRAINAIS
RKPNGGTLLIPNGTYHFLGIQMKSNVHIRVESDVIIKPTWNGDGKNHRLF
EVGVNNIVRNFSFQGLGNGFLVDFKDSRDKNLAVFKLGDVRNYKISNFTI
DDNKTIFASILVDVTERNGRLHWSRNGIIERIKQNNALFGYGLIQTYGAD
NILFRNLHSEGGIALRMETDNLLMKNYKQGGIRNIFADNIRCSKGLAAVM
FGPHFMKNGDVQVTNVSSVSCGSAVRSDSGFVELFSPTDEVHTRQSWKQA
VESKLGRGCAQTPYAWAARVTQKDACLDKAKLEYGIEPGSFGTVKVFDVT
ARFGYNADLKQDQLDYFSTSNPMCKRVCLPTKEQWSKQGQIYIGPSLAAV
IDTTPETSKYDYDVKTFNVKRINFPVNSHKTIDTNTESSRVCNYYGMSEC
SSSRWER

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: 1ktw Chain B Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ktw The Structural Bases of the Processive Degradation of iota-Carrageenan, a Main Cell Wall Polysaccharide of Red Algae.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): T438 D445 Y446 D447
• Binding residue (residue number reindexed from 1): T404 D411 Y412 D413
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.157: iota-carrageenase.

Gene Ontology

Molecular Function

• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0033952 iota-carrageenase activity

Biological Process

• GO:0000272 polysaccharide catabolic process
• GO:0071555 cell wall organization

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:1ktw, PDBe:1ktw, PDBj:1ktw
• PDBsum: 1ktw
• PubMed: 14623184
• UniProt: Q9F5I8|CGIA_ALTMA Iota-carrageenase (Gene Name=cgiA)