Structure of PDB 8fnb Chain B Binding Site BS01

Receptor Information
>8fnb Chain B (length=219) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLYPFPKDCSQAMLNGDTTSGLYTIYLNGDKAEALEVFCDMTSDGGGWIV
FLRRKNGRENFYQNWKAYAAGFGDRREEFWLGLDNLNKITAQGQYELRVD
LRDHGETAFAVYDKFSVGDAKTRYKLKVEGYSGTAGDSMAYHNGRSFSTF
DKDTDSAITNCALSHKGAFWYRNCHRVNLMGRYGDNNHHQGVNWFHWKGH
EHSIQFAEMKLRPSNFRNL
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 chain8fnb Chain B Residue 2301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8fnb Protein-protein interactions between tenascin-R and RPTP zeta /phosphacan are critical to maintain the architecture of perineuronal nets.
Resolution1.8 Å
Binding residue
(original residue number in PDB)
D2128 D2130 A2132 T2134
Binding residue
(residue number reindexed from 1)
D153 D155 A157 T159
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8fnb, PDBe:8fnb, PDBj:8fnb
PDBsum8fnb
PubMed37356715
UniProtP24821|TENA_HUMAN Tenascin (Gene Name=TNC)

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