Structure of PDB 8f90 Chain A Binding Site BS01

Receptor Information
>8f90 Chain A (length=150) Species: 2606628 (Suipraeoptans intestinalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APGYENPAGEIRTTVKANSSTGNETAPAQVSENEAESGVTVTDTISYTGL
VGGKTYKVTGSLNLVENGKAVKVVVTATAELKADESGKGSWELDFGTIAG
LEEGKSYVVYESARSLERLIDTDYDNIPDTPQNPVHEDPKDPAQTITVVP
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8f90 Chain A Residue 201 [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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PDB8f90 Intramolecular ester bond-containing repeat domain from Suipraoptans intestinalis adhesin
Resolution1.6 Å
Binding residue
(original residue number in PDB)
D120 D122 D124 I126 D128
Binding residue
(residue number reindexed from 1)
D121 D123 D125 I127 D129
Annotation score4
External links