Structure of PDB 5ukh Chain A Binding Site BS01

Receptor Information
>5ukh Chain A (length=321) Species: 862967 (Streptococcus intermedius B196) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYAALKDLTLSKQDKVFLEHLMTEYGFDSTTARQILKLKQGLERKFSSIF
DDYTQEERDYLLFRIIGSVSYNGVKWDETAGYLSRYFYKEVVSNPVTGEK
QKVPKSLLDIFQELGLSKAEAKQLQYNLSLQHEMAGGTLSTTGDMVKQDP
DYYETAKNSYKLVYGTTEGFDKFWDERLKAYSNDGRGNADFTHQSITMAT
HLNPTGWEGDTTYNANERKPSIGEDDYKADLDSVNIIGRMKKGQSYQSAM
SSYYSDVQKGHSVREKEFLKNKDWEKVKKTIYDSLVPNGINKNADSVVKD
YIAKNYPDVSKFLSRLESVAG
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 chain5ukh Chain A Residue 601 [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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PDB5ukh A broadly distributed toxin family mediates contact-dependent antagonism between gram-positive bacteria.
Resolution1.98 Å
Binding residue
(original residue number in PDB)
D401 D454 D455
Binding residue
(residue number reindexed from 1)
D190 D225 D226
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links