4PHU
Crystal structure of Human GPR40 bound to allosteric agonist TAK-875
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003796 | molecular_function | lysozyme activity |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004930 | molecular_function | G protein-coupled receptor activity |
| A | 0007186 | biological_process | G protein-coupled receptor signaling pathway |
| A | 0009253 | biological_process | peptidoglycan catabolic process |
| A | 0016020 | cellular_component | membrane |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| A | 0016998 | biological_process | cell wall macromolecule catabolic process |
| A | 0030430 | cellular_component | host cell cytoplasm |
| A | 0031640 | biological_process | killing of cells of another organism |
| A | 0042742 | biological_process | defense response to bacterium |
| A | 0044659 | biological_process | viral release from host cell by cytolysis |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | binding site for residue 2YB A 2401 |
| Chain | Residue |
| A | PRO80 |
| A | ARG183 |
| A | TYR2240 |
| A | ARG2258 |
| A | PHE87 |
| A | TYR91 |
| A | LEU135 |
| A | LEU138 |
| A | GLY139 |
| A | PHE142 |
| A | LEU158 |
| A | TRP174 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | binding site for residue OLC A 2402 |
| Chain | Residue |
| A | ILE27 |
| A | PHE2248 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | binding site for residue OLC A 2404 |
| Chain | Residue |
| A | PRO40 |
| A | TYR44 |
| A | VAL64 |
| A | ALA102 |
| A | ALA103 |
| A | LEU106 |
| A | TYR122 |
| A | ALA129 |
| A | ILE197 |
| site_id | AC4 |
| Number of Residues | 1 |
| Details | binding site for residue OLC A 2405 |
| Chain | Residue |
| A | CYS50 |
| site_id | AC5 |
| Number of Residues | 1 |
| Details | binding site for residue OLC A 2406 |
| Chain | Residue |
| A | LEU7 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue 1PE A 2407 |
| Chain | Residue |
| A | GLN6 |
| A | LEU67 |
| A | CYS121 |
| A | GLY125 |
| A | CYS136 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue DMS A 2408 |
| Chain | Residue |
| A | LEU2234 |
| A | GLY2238 |
| A | PRO2239 |
| A | ALA2242 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 63 |
| Details | TOPO_DOM: Extracellular => ECO:0000255, ECO:0000269|PubMed:25043059 |
| Chain | Residue | Details |
| A | MET1-SER8 | |
| A | GLU65-CYS79 | |
| A | GLY143-SER178 | |
| A | LEU2249-SER2256 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 22 |
| Details | TRANSMEM: Helical; Name=1 => ECO:0000255, ECO:0000269|PubMed:25043059 |
| Chain | Residue | Details |
| A | PHE9-THR31 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 48 |
| Details | TOPO_DOM: Cytoplasmic => ECO:0000255, ECO:0000269|PubMed:25043059 |
| Chain | Residue | Details |
| A | ALA32-SER41 | |
| A | ALA102-CYS121 | |
| A | GLY2280-LYS2300 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 22 |
| Details | TRANSMEM: Helical; Name=2 => ECO:0000255, ECO:0000269|PubMed:25043059 |
| Chain | Residue | Details |
| A | ALA42-VAL64 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 21 |
| Details | TRANSMEM: Helical; Name=3 => ECO:0000255, ECO:0000269|PubMed:25043059 |
| Chain | Residue | Details |
| A | PRO80-SER101 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 20 |
| Details | TRANSMEM: Helical; Name=4 => ECO:0000255, ECO:0000269|PubMed:25043059 |
| Chain | Residue | Details |
| A | TYR122-PHE142 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 21 |
| Details | TRANSMEM: Helical; Name=5 => ECO:0000255, ECO:0000269|PubMed:25043059 |
| Chain | Residue | Details |
| A | ALA179-PHE200 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 24 |
| Details | TRANSMEM: Helical; Name=6 => ECO:0000255, ECO:0000269|PubMed:25043059 |
| Chain | Residue | Details |
| A | TRP2224-PHE2248 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 22 |
| Details | TRANSMEM: Helical; Name=7 => ECO:0000255, ECO:0000269|PubMed:25043059 |
| Chain | Residue | Details |
| A | TRP2257-LEU2279 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 2 |
| Details | SITE: Important for receptor activation => ECO:0000269|PubMed:19068482 |
| Chain | Residue | Details |
| A | GLU145 | |
| A | GLU172 |
| site_id | SWS_FT_FI11 |
| Number of Residues | 1 |
| Details | CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255 |
| Chain | Residue | Details |
| A | ASN155 |
| site_id | SWS_FT_FI12 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton donor/acceptor => ECO:0000255|HAMAP-Rule:MF_04110, ECO:0000269|PubMed:3382407, ECO:0000269|PubMed:7831309, ECO:0000269|PubMed:8266098 |
| Chain | Residue | Details |
| A | GLU1011 |
| site_id | SWS_FT_FI13 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton donor/acceptor => ECO:0000255|HAMAP-Rule:MF_04110, ECO:0000269|PubMed:1892846, ECO:0000269|PubMed:3382407, ECO:0000269|PubMed:7831309, ECO:0000269|PubMed:8266098 |
| Chain | Residue | Details |
| A | ASP1020 |
| site_id | SWS_FT_FI14 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:8266098 |
| Chain | Residue | Details |
| A | LEU1032 | |
| A | PHE1104 |
| site_id | SWS_FT_FI15 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000303|PubMed:7831309 |
| Chain | Residue | Details |
| A | SER1117 | |
| A | ASN1132 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 2 |
| Details | M-CSA 921 |
| Chain | Residue | Details |
| A | GLU1011 | proton shuttle (general acid/base) |
| A | ASP1020 | covalent catalysis |
