Structure of PDB 7wca Chain B Binding Site BS01

Receptor Information
>7wca Chain B (length=679) Species: 85995 (Mycothermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSPLAAYEVDDSTGYLTSDVGGPIQDQTSLKAGIRGPTLLEDFMFRQKIQ
HFDHERVPERAVHARGAGAHGTFTSYADWSNITAASFLNATGKQTPVFVR
FSTVAGSRGSADTARDVHGFATRFYTDEGNFDIVGNNIPVFFIQDAIQFP
DLIHSVKPRPDNEIPQAATAHDSAWDFFSQQPSTMHTLFWAMSGHGIPRS
YRHMDGFGVHTFRFVKDDGSSKLIKWHFKSRQGKASLVWEEAQVLSGKNA
DFHRQDLWDAIESGNGPEWDVCVQIVDESQAQAFGFDLLDPTKIIPEEYA
PLTKLGLLKLDRNPTNYFAETEQVMFQPGHIVRGIDFTEDPLLQGRLFSY
LDTQLNRNGGPNFEQLPINMPRVPIHNNNRDGAGQMFIHRNKYPYTPNTL
NSGYPRQANQNAGRGFFTAPGRTASGALVREVSPTFNDHWSQPRLFFNSL
TPVEQQFLVNAMRFAISLVKSEEVKKNVLTQLNRVSHDVAVRVAAAIGLG
APDADDTYYHNNKTAGVSIVGSGPLPTIKTLRVGILATTSESSALDQAAQ
LRTRLEKDGLVVTVVAETLREGVDQTYSTADATGFDGVVVVDGAAALFAS
TASSPLFPTGRPLQIFVDAYRWGKPVGVCGGKSSEVLDAADVPEDGDGVY
SEESVDMFVEEFEKGLATFRFTDRFALDS
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7wca Chain A Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7wca CATPO mutant - E484A
Resolution1.78 Å
Binding residue
(original residue number in PDB)		F436 T437
Binding residue
(residue number reindexed from 1)		F417 T418
Annotation score1
Enzymatic activity
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

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Molecular Function
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Biological Process
External links
PDB RCSB:7wca, PDBe:7wca, PDBj:7wca
PDBsum7wca
PubMed38265876
UniProtM4GGR5

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