Structure of PDB 4b7a Chain D Binding Site BS04

Receptor Information

>4b7a Chain D (length=670) Species: 85995 (Mycothermus thermophilus)

SPLAAYEVDDSTGYLTSDVGGPIQDQTSLKAGIRGPTLLEDFMFRQKIQH
FDHERVPERAVHARGAGAHGTFTSYADWSNITAASFLNATGKQTPVFVRF
STVAGSRGSADTARDVHGFATRFYTDEGNFDIVGNNIPVFFIQDAIQFPD
LIHSVKPRPDNEIPQAATAHDSAWDFFSQQPSTMHTLFWAMSGHGIPRSY
RHMDGFGVHTFRFVKDDGSSKLIKWHFKSRQGKASLVWEEAQVLSGKNAD
FHRQDLWDAIESGNGPEWDVCVQIVDESQAQAFGFDLLDPTKIIPEEYAP
LTKLGLLKLDRNPTNYFAETEQVMFQPGHIVRGIDFTEDPLLQGRLFSYL
DTQLNRNGGPNFEQLPINMPRVPIHNNNRDGAGQMFIHRNKYPYTPNTLN
SGYPRQANQNAGRGFFTAPGRTASGALVREVSPTFNDHWSQPRLFFNSLT
PVEQQFLVNAMRFEISLVKSEEVKKNVLTQLNRVSHDVAVRVAAAIGLGA
PDADDTYYHNNKTAGVSIVGSGPLPTIKTLRVGILATTSESSALDQAAQL
RTRLEKDGLVVTVVAETLREGVDQTYSTADATGFDGVVVVDGAAALFASS
PLFPTGRPLQIFVDAYRWGKPVGVCGEVLDAADVPEDGDGVYSEESVDMF
VEEFEKGLATFRFTDRFALD

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: 4b7a Chain D Residue 1700

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4b7a Probing the Active Center of Catalase-Phenol Oxidase from Scytalidium Thermophilum
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): R178 H190 D191 S192
• Binding residue (residue number reindexed from 1): R158 H170 D171 S172
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H82 N155 Q346
• Catalytic site (residue number reindexed from 1): H62 N135 Q326
• Enzyme Commision number: 1.11.1.6: catalase.

Gene Ontology

Molecular Function

• GO:0004096 catalase activity
• GO:0020037 heme binding

Biological Process

• GO:0006979 response to oxidative stress

External links

• PDB: RCSB:4b7a, PDBe:4b7a, PDBj:4b7a
• PDBsum: 4b7a
• UniProt: M4GGR5