2XXI
Crystal structure of 1-((4-(3-(trifluoromethyl)-6,7-dihydropyrano(4,3- c(pyrazol-1(4H)-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.6A 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 | 12 |
| Details | BINDING SITE FOR RESIDUE GLU A 301 |
| Chain | Residue |
| A | TYR61 |
| A | HOH2122 |
| A | HOH2171 |
| A | HOH2172 |
| A | PRO89 |
| A | LEU90 |
| A | THR91 |
| A | ARG96 |
| A | GLY141 |
| A | SER142 |
| A | THR143 |
| A | GLU193 |
| site_id | AC2 |
| Number of Residues | 13 |
| 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 | HOH2145 |
| B | HOH2184 |
| B | HOH2185 |
| site_id | AC3 |
| Number of Residues | 13 |
| 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 | HOH2087 |
| C | HOH2117 |
| C | HOH2154 |
| site_id | AC4 |
| Number of Residues | 33 |
| Details | BINDING SITE FOR RESIDUE JAC A 1302 |
| Chain | Residue |
| A | ILE92 |
| A | LYS104 |
| A | PRO105 |
| A | PHE106 |
| A | MET107 |
| A | SER108 |
| A | SER217 |
| A | LYS218 |
| A | GLY219 |
| A | LEU239 |
| A | SER242 |
| A | HOH2022 |
| A | HOH2066 |
| A | HOH2074 |
| A | HOH2076 |
| A | HOH2151 |
| A | HOH2173 |
| A | HOH2174 |
| A | HOH2175 |
| A | HOH2176 |
| C | ILE92 |
| C | LYS104 |
| C | PRO105 |
| C | PHE106 |
| C | SER108 |
| C | SER217 |
| C | LYS218 |
| C | GLY219 |
| C | LEU239 |
| C | SER242 |
| C | HOH2063 |
| C | HOH2072 |
| C | HOH2076 |
| site_id | AC5 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE JAC B 1302 |
| Chain | Residue |
| B | ILE92 |
| B | LYS104 |
| B | PRO105 |
| B | PRO105 |
| B | PHE106 |
| B | PHE106 |
| B | MET107 |
| B | SER108 |
| B | SER108 |
| B | SER217 |
| B | SER217 |
| B | LYS218 |
| B | LYS218 |
| B | GLY219 |
| B | LEU239 |
| B | SER242 |
| B | SER242 |
| B | HOH2072 |
| B | HOH2080 |
| B | HOH2081 |
| B | HOH2083 |
| B | HOH2170 |
| B | HOH2170 |
| B | HOH2186 |
| B | HOH2187 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1304 |
| Chain | Residue |
| A | ZN1305 |
| B | ARG163 |
| B | ALA165 |
| B | GLU166 |
| B | SER168 |
| A | GLU42 |
| A | LYS45 |
| A | HIS46 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 1305 |
| Chain | Residue |
| A | GLU42 |
| A | HIS46 |
| A | SO41304 |
| B | GLU166 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 1303 |
| Chain | Residue |
| B | HIS23 |
| B | GLU30 |
| C | HIS23 |
| C | GLU24 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN C 1302 |
| Chain | Residue |
| A | HIS23 |
| C | ASP65 |
| C | HOH2155 |
| C | HOH2156 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN B 1304 |
| Chain | Residue |
| A | GLU166 |
| B | GLU42 |
| B | HIS46 |
| B | LEU241 |
| B | HOH2188 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN C 1303 |
| Chain | Residue |
| C | GLU42 |
| C | LYS45 |
| C | HIS46 |
| C | HOH2157 |
| C | HOH2158 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 18 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"11086992","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16483599","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1FTJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CMO","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 9 |
| Details | Site: {"description":"Interaction with the cone snail toxin Con-ikot-ikot","evidences":[{"source":"PubMed","id":"25103405","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 3 |
| Details | Site: {"description":"Crucial to convey clamshell closure to channel opening","evidences":[{"source":"PubMed","id":"25103405","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 3 |
| Details | Modified residue: {"description":"Phosphoserine; by PKC","evidences":[{"source":"PubMed","id":"8848293","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 3 |
| Details | Modified residue: {"description":"Phosphoserine; by PKG","evidences":[{"source":"PubMed","id":"8848293","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 3 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
