5I2N
Structure of the human GluN1/GluN2A LBD in complex with N-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 29)
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 2 |
| Details | binding site for residue CA A 301 |
| Chain | Residue |
| A | ASP259 |
| B | HOH483 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | binding site for residue GLU A 302 |
| Chain | Residue |
| A | TYR213 |
| A | ASP214 |
| A | HOH446 |
| A | HOH493 |
| A | HIS87 |
| A | SER113 |
| A | THR115 |
| A | ARG120 |
| A | GLY171 |
| A | SER172 |
| A | THR173 |
| site_id | AC3 |
| Number of Residues | 16 |
| Details | binding site for residue 67J A 303 |
| Chain | Residue |
| A | VAL128 |
| A | PRO129 |
| A | PHE130 |
| A | VAL131 |
| A | GLU132 |
| A | THR242 |
| A | GLY243 |
| A | LEU263 |
| A | HOH403 |
| A | HOH455 |
| B | LYS140 |
| B | PRO141 |
| B | TYR144 |
| B | LEU270 |
| B | HIS273 |
| B | HOH463 |
| site_id | AC4 |
| Number of Residues | 10 |
| Details | binding site for residue EPE B 301 |
| Chain | Residue |
| B | SER4 |
| B | THR5 |
| B | ARG6 |
| B | LEU7 |
| B | LYS8 |
| B | ASP120 |
| B | PRO260 |
| B | TRP261 |
| B | HOH420 |
| B | HOH457 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | binding site for residue GLY B 302 |
| Chain | Residue |
| B | PHE93 |
| B | PRO125 |
| B | LEU126 |
| B | THR127 |
| B | ARG132 |
| B | SER180 |
| B | SER181 |
| B | ASP225 |
| B | PHE251 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:26875626, ECO:0000269|PubMed:26919761, ECO:0000269|PubMed:28105280, ECO:0007744|PDB:5H8F, ECO:0007744|PDB:5H8H, ECO:0007744|PDB:5H8N, ECO:0007744|PDB:5H8Q, ECO:0007744|PDB:5I2K, ECO:0007744|PDB:5I2N, ECO:0007744|PDB:5KCJ, ECO:0007744|PDB:5KDT, ECO:0007744|PDB:5TP9, ECO:0007744|PDB:5TPA |
| Chain | Residue | Details |
| B | LYS104 | |
| A | THR115 | |
| A | ARG120 | |
| A | SER172 | |
| A | THR173 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:26875626, ECO:0000269|PubMed:26919761, ECO:0000269|PubMed:28105280, ECO:0000269|PubMed:36959261, ECO:0007744|PDB:5H8F, ECO:0007744|PDB:5H8H, ECO:0007744|PDB:5H8N, ECO:0007744|PDB:5H8Q, ECO:0007744|PDB:5I2K, ECO:0007744|PDB:5I2N, ECO:0007744|PDB:5KCJ, ECO:0007744|PDB:5KDT, ECO:0007744|PDB:5TP9, ECO:0007744|PDB:5TPA, ECO:0007744|PDB:7YFF |
| Chain | Residue | Details |
| B | GLU106 | |
| B | ILE160 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:26875626, ECO:0000269|PubMed:26919761, ECO:0000269|PubMed:28105280, ECO:0000269|PubMed:36309015, ECO:0000269|PubMed:36959261, ECO:0000312|PDB:8E96, ECO:0007744|PDB:5H8F, ECO:0007744|PDB:5H8H, ECO:0007744|PDB:5H8N, ECO:0007744|PDB:5H8Q, ECO:0007744|PDB:5I2K, ECO:0007744|PDB:5I2N, ECO:0007744|PDB:5KCJ, ECO:0007744|PDB:5KDT, ECO:0007744|PDB:5TP9, ECO:0007744|PDB:5TPA, ECO:0007744|PDB:7YFR |
| Chain | Residue | Details |
| B | MET111 | |
| A | ASN46 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:26875626, ECO:0000269|PubMed:26919761, ECO:0000269|PubMed:28105280, ECO:0000269|PubMed:36309015, ECO:0000269|PubMed:36959261, ECO:0000312|PDB:8E96, ECO:0007744|PDB:5H8F, ECO:0007744|PDB:5H8H, ECO:0007744|PDB:5H8N, ECO:0007744|PDB:5H8Q, ECO:0007744|PDB:5I2K, ECO:0007744|PDB:5I2N, ECO:0007744|PDB:5KCJ, ECO:0007744|PDB:5KDT, ECO:0007744|PDB:5TP9, ECO:0007744|PDB:5TPA, ECO:0007744|PDB:7YFF |
| Chain | Residue | Details |
| B | TYR204 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255 |
| Chain | Residue | Details |
| B | THR28 | |
| B | MET79 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255, ECO:0000269|PubMed:34186027, ECO:0000269|PubMed:36309015, ECO:0000269|PubMed:36959261, ECO:0000312|PDB:8E93, ECO:0000312|PDB:8E94, ECO:0000312|PDB:8E97, ECO:0000312|PDB:8E98, ECO:0007744|PDB:7EOQ, ECO:0007744|PDB:7YFR |
| Chain | Residue | Details |
| B | THR59 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 1 |
| Details | CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255, ECO:0000269|PubMed:34186027, ECO:0000269|PubMed:36309015, ECO:0000312|PDB:8E92, ECO:0000312|PDB:8E93, ECO:0000312|PDB:8E94, ECO:0000312|PDB:8E96, ECO:0000312|PDB:8E97, ECO:0000312|PDB:8E98, ECO:0000312|PDB:8E99, ECO:0007744|PDB:7EOQ |
| Chain | Residue | Details |
| B | GLY243 |
