Structure of PDB 1ii5 Chain A Binding Site BS01

Receptor Information

>1ii5 Chain A (length=221) Species: 1111708 (Synechocystis sp. PCC 6803 substr. Kazusa)

GSAMALKVGVVGNPPFVFYGAFTGISLDVWRAVAESQKWNSEYVRQNSIS
AGITAVAEGELDILIGPISVTPERAAIEGITFTQPYFSSGIGLLIPGTAT
PLFRSVGDLKNKEVAVVRDTTAVDWANFYQADVRETNNLTAAITLLQKKQ
VEAVMFDRPALIYYTRQNPNLNLEVTEIRVSLEPYGFVLKENSPLQKTIN
VEMLNLLYSRVIAEFTERWLG

Ligand information

• Ligand ID: GLU
• InChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
• InChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-N
• SMILES:
  ACDLabs 12.01: O=C(O)C(N)CCC(=O)O
  OpenEye OEToolkits 1.7.0: C(CC(=O)O)C(C(=O)O)N
  OpenEye OEToolkits 1.7.0: C(CC(=O)O)[C@@H](C(=O)O)N
  CACTVS 3.370: N[C@@H](CCC(O)=O)C(O)=O
  CACTVS 3.370: N[CH](CCC(O)=O)C(O)=O
• Formula: C5 H9 N O4
• Name: GLUTAMIC ACID
• ChEMBL: CHEMBL575060
• DrugBank: DB00142
• ZINC: ZINC000001482113
• PDB chain: 1ii5 Chain A Residue 999

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ii5 Mechanisms for ligand binding to GluR0 ion channels: crystal structures of the glutamate and serine complexes and a closed apo state.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): N13 I54 P72 S74 R79 T125 T126 F161 D162
• Binding residue (residue number reindexed from 1): N13 I49 P67 S69 R74 T120 T121 F156 D157
• Annotation score: 4
• Binding affinity: MOAD: Kd=240nM
  PDBbind-CN: -logKd/Ki=6.62,Kd=240nM

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:1ii5, PDBe:1ii5, PDBj:1ii5
• PDBsum: 1ii5
• PubMed: 11518533
• UniProt: P73797