2XX8
Crystal structure of N,N-dimethyl-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)benzamide in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution.
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0015276 | molecular_function | ligand-gated monoatomic ion channel activity |
| A | 0016020 | cellular_component | membrane |
| B | 0015276 | molecular_function | ligand-gated monoatomic ion channel activity |
| B | 0016020 | cellular_component | membrane |
| C | 0015276 | molecular_function | ligand-gated monoatomic ion channel activity |
| C | 0016020 | cellular_component | membrane |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE GLU A 301 |
| Chain | Residue |
| A | TYR61 |
| A | GLU193 |
| A | HOH2080 |
| A | HOH2113 |
| A | HOH2163 |
| A | PRO89 |
| A | LEU90 |
| A | THR91 |
| A | ARG96 |
| A | LEU138 |
| A | GLY141 |
| A | SER142 |
| A | THR143 |
| site_id | AC2 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE 1NE A 310 |
| Chain | Residue |
| A | ILE92 |
| A | LYS104 |
| A | PRO105 |
| A | PHE106 |
| A | SER108 |
| A | SER217 |
| A | LYS218 |
| A | GLY219 |
| A | LEU239 |
| A | SER242 |
| A | HOH2062 |
| A | HOH2133 |
| A | HOH2164 |
| C | LYS104 |
| C | PRO105 |
| C | PHE106 |
| C | SER108 |
| C | SER217 |
| C | LYS218 |
| C | GLY219 |
| C | LEU239 |
| C | SER242 |
| C | HOH2064 |
| C | HOH2073 |
| C | HOH2142 |
| C | HOH2154 |
| C | HOH2155 |
| site_id | AC3 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE GLU B 301 |
| Chain | Residue |
| B | TYR61 |
| B | PRO89 |
| B | LEU90 |
| B | THR91 |
| B | ARG96 |
| B | LEU138 |
| B | GLY141 |
| B | SER142 |
| B | THR143 |
| B | GLU193 |
| B | TYR220 |
| B | HOH2137 |
| B | HOH2176 |
| B | HOH2177 |
| site_id | AC4 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE 1NE B 310 |
| Chain | Residue |
| B | ILE92 |
| B | LYS104 |
| B | PRO105 |
| B | PRO105 |
| B | PHE106 |
| B | SER108 |
| B | SER217 |
| B | SER217 |
| B | LYS218 |
| B | LYS218 |
| B | GLY219 |
| B | SER242 |
| B | HOH2066 |
| B | HOH2073 |
| B | HOH2073 |
| B | HOH2178 |
| site_id | AC5 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE GLU C 301 |
| Chain | Residue |
| C | TYR61 |
| C | PRO89 |
| C | LEU90 |
| C | THR91 |
| C | ARG96 |
| C | LEU138 |
| C | GLY141 |
| C | SER142 |
| C | THR143 |
| C | GLU193 |
| C | TYR220 |
| C | HOH2087 |
| C | HOH2119 |
| C | HOH2153 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1263 |
| Chain | Residue |
| A | GLU42 |
| A | HIS46 |
| B | ARG163 |
| B | ALA165 |
| B | GLU166 |
| B | SER168 |
| B | ZN1264 |
| B | HOH2179 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 1264 |
| Chain | Residue |
| A | GLU42 |
| A | HIS46 |
| B | GLU166 |
| B | SO41263 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 1265 |
| Chain | Residue |
| C | GLU24 |
| B | HIS23 |
| B | GLU30 |
| C | HIS23 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN C 1263 |
| Chain | Residue |
| A | HIS23 |
| C | ASP65 |
| C | HOH2156 |
| C | HOH2157 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN B 1266 |
| Chain | Residue |
| A | GLU166 |
| B | GLU42 |
| B | HIS46 |
| B | LEU241 |
| B | HOH2180 |
| site_id | BC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ZN C 1264 |
| Chain | Residue |
| C | GLU42 |
| C | HIS46 |
| C | HOH2158 |
Functional Information from SwissProt/UniProt
| Chain | Residue | Details |
| A | TYR61 | |
| B | TYR61 | |
| B | ARG96 | |
| B | GLU193 | |
| C | TYR61 | |
| C | ARG96 | |
| C | GLU193 | |
| A | ARG96 | |
| A | GLU193 | |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | PRO89 | |
| B | PRO89 | |
| C | PRO89 | |
| Chain | Residue | Details |
| C | THR91 | |
| C | SER142 | |
| C | THR143 | |
| A | THR91 | |
| A | SER142 | |
| A | THR143 | |
| B | THR91 | |
| B | SER142 | |
| B | THR143 | |
| site_id | SWS_FT_FI4 |
| Number of Residues | 9 |
| Details | SITE: Interaction with the cone snail toxin Con-ikot-ikot => ECO:0000269|PubMed:25103405 |
| Chain | Residue | Details |
| A | ARG64 | |
| A | ARG148 | |
| A | LYS240 | |
| B | ARG64 | |
| B | ARG148 | |
| B | LYS240 | |
| C | ARG64 | |
| C | ARG148 | |
| C | LYS240 | |
| site_id | SWS_FT_FI5 |
| Number of Residues | 3 |
| Details | SITE: Crucial to convey clamshell closure to channel opening => ECO:0000269|PubMed:25103405 |
| Chain | Residue | Details |
| A | ILE121 | |
| B | ILE121 | |
| C | ILE121 | |
| Chain | Residue | Details |
| A | SER150 | |
| B | SER150 | |
| C | SER150 | |
| Chain | Residue | Details |
| A | SER184 | |
| B | SER184 | |
| C | SER184 | |
| site_id | SWS_FT_FI8 |
| Number of Residues | 3 |
| Details | CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255 |
| Chain | Residue | Details |
| A | ASN3 | |
| B | ASN3 | |
| C | ASN3 | |
