Structure of PDB 7pr5 Chain G Binding Site BS04

Receptor Information
>7pr5 Chain G (length=89) Species: 305 (Ralstonia solanacearum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSVQTAATSWGTVPSIRVYTANHGKITERCWDGKGWYTGAFNEPGDNVSV
TSWLVGSAIHIRVYASTGTTTTEWCWDGNGWTKGAYTAT
Ligand information
Ligand ID80M
InChIInChI=1S/C24H16O16S8/c25-21-13-1-9(45(29,30)31)2-14(21)42-17-5-11(47(35,36)37)6-18(23(17)27)44-20-8-12(48(38,39)40)7-19(24(20)28)43-16-4-10(46(32,33)34)3-15(41-13)22(16)26/h1-8,25-28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)
InChIKeyRUNCKYHXTXCYJH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1c2Sc3cc(cc(Sc4cc(cc(Sc5cc(cc(Sc1cc(c2)[S](O)(=O)=O)c5O)[S](O)(=O)=O)c4O)[S](O)(=O)=O)c3O)[S](O)(=O)=O
OpenEye OEToolkits 2.0.7c1c(cc2c(c1sc3cc(cc(c3O)sc4cc(cc(c4O)sc5cc(cc(c5O)s2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O
FormulaC24 H16 O16 S8
Namesulfonato-thiacalix[4]arene
ChEMBLCHEMBL1092712
DrugBank
ZINCZINC000169333742
PDB chain7pr5 Chain K Residue 101 [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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PDB7pr5 Protein Frameworks with Thiacalixarene and Zinc.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		G68 T69
Binding residue
(residue number reindexed from 1)		G68 T69
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7pr5, PDBe:7pr5, PDBj:7pr5
PDBsum7pr5
PubMed35529063
UniProtA0A0S4TLR1

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