Structure of PDB 5nih Chain B Binding Site BS01

Receptor Information

>5nih Chain B (length=260) Species: 10116 (Rattus norvegicus)

KTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKL
TIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFS
KPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIA
VFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQR
KPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKNK
WWYDKGECGS

Ligand information

• Ligand ID: 8VE
• InChI: InChI=1S/C8H11N3O4/c1-11-3-2-9-5(7(12)13)4(3)6(10-11)8(14)15/h3-5,9H,2H2,1H3,(H,12,13)(H,14,15)/t3-,4-,5-/m0/s1
• InChIKey: MUCHMWUQFYVYSF-YUPRTTJUSA-N
• SMILES:
  OpenEye OEToolkits 2.0.6: CN1[C@H]2CN[C@@H]([C@H]2C(=N1)C(=O)O)C(=O)O
  CACTVS 3.385: CN1N=C([CH]2[CH]1CN[CH]2C(O)=O)C(O)=O
  CACTVS 3.385: CN1N=C([C@H]2[C@@H]1CN[C@@H]2C(O)=O)C(O)=O
  OpenEye OEToolkits 2.0.6: CN1C2CNC(C2C(=N1)C(=O)O)C(=O)O
• Formula: C8 H11 N3 O4
• Name: (3~{a}~{R},4~{S},6~{a}~{R})-1-methyl-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-c]pyrazole-3,4-dicarboxylic acid
• PDB chain: 5nih Chain B Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5nih Structure and Affinity of Two Bicyclic Glutamate Analogues at AMPA and Kainate Receptors.
• Resolution: 1.3 Å
• Binding residue (original residue number in PDB): E13 Y61 P89 T91 R96 L138 G141 S142 T143 E193 M196
• Binding residue (residue number reindexed from 1): E10 Y58 P86 T88 R93 L135 G138 S139 T140 E190 M193
• Annotation score: 1
• Binding affinity: MOAD: Ki=134nM

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:5nih, PDBe:5nih, PDBj:5nih
• PDBsum: 5nih
• PubMed: 28691798
• UniProt: P19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)