Structure of PDB 7ri3 Chain B Binding Site BS01

Receptor Information
>7ri3 Chain B (length=575) Species: 1940 (Streptomyces albireticuli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VENIQVAEITPSTRIVYRGVSPAEFIYLEGNKFSRAQSPTQGNDDPQWKA
LYTGSDANVSSRNITDNPGGVVKIEYPSDWKVLEITSTTPSQKWHNDMGE
AWPVWRAVKKWAASNQVDLPDVTASNIDDYLLLDELGKKKIILKKPIGED
DVSSHEFIIPWKMAETVAQNKIDSTSDPAAKFFTPDDLDSTTKQPKDQAA
VRRILKKWDAYSCKGASLCGINVAAYKADIEKLIKDVYEDPNFSDLKNRT
GGPQKDKDTLKGYYERLKPKVETLRPLKAGVSSAVGAAGAISWAIGVADA
FTSENVSSFDKAAAVTAIVPGLGECVGIANAIDKRDPEGLIINTISMAAL
MASAAVPVLAPIGVALDAGLAAAQGVATVLEYLEIGQPARTPLPVSSPKT
HKGVTAAWVGSERIIAHRPRPGMRQHIFSVSIDSSKPEYTAPLIEVAGVR
ADGKLDPSPEWIRIRQNHYPIPFRFEKLSGDSPYAFRCVLLRPTTITRTE
PVYVTFAYMTSDMTCRTGESDPNKACSPNNPAIAVRFGSLVKNEDERSVL
AVTWPGPSIRPETNWIKLPYSIHPY
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 chain7ri3 Chain B Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7ri3 Structures of distant diphtheria toxin homologs reveal functional determinants of an evolutionarily conserved toxin scaffold.
Resolution2.69 Å
Binding residue
(original residue number in PDB)		I233 E393 Y481
Binding residue
(residue number reindexed from 1)		I221 E381 Y469
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0047286 NAD+-diphthamide ADP-ribosyltransferase activity
GO:0090729 toxin activity
Cellular Component
GO:0005615 extracellular space

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Molecular Function
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Cellular Component
External links
PDB RCSB:7ri3, PDBe:7ri3, PDBj:7ri3
PDBsum7ri3
PubMed35440624
UniProtA0A2A2D7J4

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