Structure of PDB 5twt Chain A Binding Site BS02

Receptor Information

>5twt Chain A (length=291) Species: 38727 (Panicum virgatum)

QLSSTFYDTSCPNALSTIRSAVNAAVAQENRMGASLLRLHFHDCFVQGCD
ASVLLNDTNGGEQNALPNAGSLRGFGVIDNIKAQVEALCPQTVSCADILA
VAARDSVVALGGPSWTVPLGRRDSTNSSAALANSDLPPPQFNLSQLITAF
GNKNLDPTDLVALSGAHTIGQAQCLNFRAHITEPNINPTFAASLRANCPA
TGGDTNLAPLDVTTPNTFDNAYYTNLLNQRGLLHSDQELFNNASTDSTVR
NFASNAAAFTTAFTTAMIKMGNLQPLTGTQGQIRRNCWRVN

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: 5twt Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5twt Characterization of Class III Peroxidases from Switchgrass.
• Resolution: 1.296 Å
• Binding residue (original residue number in PDB): T168 D211 T214 T217 D219
• Binding residue (residue number reindexed from 1): T168 D211 T214 T217 D219
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): G60 A162
• Catalytic site (residue number reindexed from 1): G60 A162
• Enzyme Commision number: 1.11.1.7: peroxidase.

Gene Ontology

Molecular Function

• GO:0004601 peroxidase activity
• GO:0020037 heme binding
• GO:0046872 metal ion binding
• GO:0140825 lactoperoxidase activity

Biological Process

• GO:0006979 response to oxidative stress
• GO:0042744 hydrogen peroxide catabolic process
• GO:0098869 cellular oxidant detoxification

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:5twt, PDBe:5twt, PDBj:5twt
• PDBsum: 5twt
• PubMed: 27879392
• UniProt: A0A1S4NYF8