4PHU
Crystal structure of Human GPR40 bound to allosteric agonist TAK-875
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Free fatty acid receptor 1,Lysozyme | polymer | 491 | 53102.2 | 1 | UniProt (O14842) UniProt (P00720) Pfam (PF00001) Pfam (PF00959) In PDB | Homo sapiens (Human) | G-protein coupled receptor 40,Endolysin,Lysis protein,Muramidase |
| 2 | A | [(3S)-6-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid | non-polymer | 524.6 | 1 | Chemie (2YB) | |||
| 3 | A | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 5 | Chemie (OLC) | |||
| 4 | A | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 1 | Chemie (1PE) | |||
| 5 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 6 | water | water | 18.0 | 90 | Chemie (HOH) |
Sequence modifications
A: 1 - 211 (UniProt: O14842)
A: 1002 - 1161 (UniProt: P00720)
A: 2214 - 2300 (UniProt: O14842)
| PDB | External Database | Details |
|---|---|---|
| Met -12 | - | expression tag |
| Asp -11 | - | expression tag |
| Tyr -10 | - | expression tag |
| Lys -9 | - | expression tag |
| Asp -8 | - | expression tag |
| Asp -7 | - | expression tag |
| Asp -6 | - | expression tag |
| Asp -5 | - | expression tag |
| Lys -4 | - | expression tag |
| Gly -3 | - | expression tag |
| Ser -2 | - | expression tag |
| Ala -1 | - | expression tag |
| Thr 0 | - | expression tag |
| Ala 42 | Leu 42 | engineered mutation |
| Ala 88 | Phe 88 | engineered mutation |
| Ala 103 | Gly 103 | engineered mutation |
| Phe 202 | Tyr 202 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Thr 1054 | Cys 54 | engineered mutation |
| Ala 1097 | Cys 97 | engineered mutation |
| Gly 1902 | - | linker |
| Ser 1903 | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Gly 900 | - | linker |
| Ser 901 | - | linker |
| Ala 2301 | - | expression tag |
| Glu 2302 | - | expression tag |
| Asn 2303 | - | expression tag |
| Leu 2304 | - | expression tag |
| Tyr 2305 | - | expression tag |
| Phe 2306 | - | expression tag |
| Gln 2307 | - | expression tag |
| Gly 2308 | - | expression tag |
| His 2309 | - | expression tag |
| His 2310 | - | expression tag |
| His 2311 | - | expression tag |
| His 2312 | - | expression tag |
| His 2313 | - | expression tag |
| His 2314 | - | expression tag |
| His 2315 | - | expression tag |
| His 2316 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 53102.2 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2623.7 | |
| All* | Total formula weight | 55725.9 |
