Structure of PDB 4yma Chain B Binding Site BS01

Receptor Information

>4yma Chain B (length=260) Species: 10116 (Rattus norvegicus)

KTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKL
TIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFS
KPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIA
VFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQR
KPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKNK
WWYDKGECGS

Ligand information

• Ligand ID: 4E5
• InChI: InChI=1S/C12H13NO5/c14-8-4-6(3-7(5-8)11(15)16)9-1-2-13-10(9)12(17)18/h3-5,9-10,13-14H,1-2H2,(H,15,16)(H,17,18)/t9-,10+/m1/s1
• InChIKey: RMJSXKKIOKMPOU-ZJUUUORDSA-N
• SMILES:
  CACTVS 3.385: OC(=O)[CH]1NCC[CH]1c2cc(O)cc(c2)C(O)=O
  OpenEye OEToolkits 1.9.2: c1c(cc(cc1C(=O)O)O)C2CCNC2C(=O)O
  OpenEye OEToolkits 1.9.2: c1c(cc(cc1C(=O)O)O)[C@H]2CCN[C@@H]2C(=O)O
  CACTVS 3.385: OC(=O)[C@H]1NCC[C@@H]1c2cc(O)cc(c2)C(O)=O
  ACDLabs 12.01: N1C(C(O)=O)C(CC1)c2cc(cc(c2)O)C(O)=O
• Formula: C12 H13 N O5
• Name: (3R)-3-(3-carboxy-5-hydroxyphenyl)-L-proline
• ZINC: ZINC000221027480
• PDB chain: 4yma Chain B Residue 304

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4yma Structure-Activity Relationship Study of Ionotropic Glutamate Receptor Antagonist (2S,3R)-3-(3-Carboxyphenyl)pyrrolidine-2-carboxylic Acid.
• Resolution: 1.895 Å
• Binding residue (original residue number in PDB): Y61 P89 L90 T91 R96 L138 S142 T143 E193
• Binding residue (residue number reindexed from 1): Y58 P86 L87 T88 R93 L135 S139 T140 E190
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:4yma, PDBe:4yma, PDBj:4yma
• PDBsum: 4yma
• PubMed: 26200741
• UniProt: P19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)