7K15
Crystal structure of the Human Leukotriene B4 Receptor 1 in Complex with Selective Antagonist MK-D-046
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Leukotriene B4 receptor 1,Flavodoxin,Leukotriene B4 receptor 1 | polymer | 490 | 53231.6 | 1 | UniProt (Q15722) UniProt (P00323) Pfam (PF00001) Pfam (PF00258) | Homo sapiens (Human) | LTB4-R1,Chemoattractant receptor-like 1,G-protein coupled receptor 16,P2Y purinoceptor 7,P2Y7,LTB4-R1,Chemoattractant receptor-like 1,G-protein coupled receptor 16,P2Y purinoceptor 7,P2Y7 |
| 2 | B (A) | N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide | non-polymer | 498.6 | 1 | Chemie (VRJ) | |||
| 3 | C (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 4 | D (A) | FLAVIN MONONUCLEOTIDE | non-polymer | 456.3 | 1 | Chemie (FMN) | |||
| 5 | E (A) | OLEIC ACID | non-polymer | 282.5 | 1 | Chemie (OLA) | |||
| 6 | F, G (A) | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 2 | Chemie (OLC) | |||
| 7 | H (A) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 1 | Chemie (1PE) | |||
| 8 | I (A) | NONAETHYLENE GLYCOL | non-polymer | 414.5 | 1 | Chemie (2PE) | |||
| 9 | J (A) | HEXAETHYLENE GLYCOL | non-polymer | 282.3 | 1 | Chemie (P6G) | |||
| 10 | K (A) | water | water | 18.0 | 5 | Chemie (HOH) |
Sequence modifications
A: 5 - 212 (UniProt: Q15722)
A: 1002 - 1148 (UniProt: P00323)
A: 213 - 310 (UniProt: Q15722)
| PDB | External Database | Details |
|---|---|---|
| Met -22 | - | expression tag |
| Lys -21 | - | expression tag |
| Thr -20 | - | expression tag |
| Ile -19 | - | expression tag |
| Ile -18 | - | expression tag |
| Ala -17 | - | expression tag |
| Leu -16 | - | expression tag |
| Ser -15 | - | expression tag |
| Tyr -14 | - | expression tag |
| Ile -13 | - | expression tag |
| Phe -12 | - | expression tag |
| Cys -11 | - | expression tag |
| Leu -10 | - | expression tag |
| Val -9 | - | expression tag |
| Phe -8 | - | expression tag |
| Ala -7 | - | expression tag |
| Asp -6 | - | expression tag |
| Tyr -5 | - | expression tag |
| Lys -4 | - | expression tag |
| Asp -3 | - | expression tag |
| Asp -2 | - | expression tag |
| Asp -1 | - | expression tag |
| Asp 0 | - | expression tag |
| Ala 1 | - | expression tag |
| Gly 2 | - | expression tag |
| Arg 3 | - | expression tag |
| Ala 4 | - | expression tag |
| Trp 106 | Leu 106 | engineered mutation |
| Tyr 116 | Ser 116 | engineered mutation |
| Ile 196 | Ala 196 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Ala 1002 | Pro 2 | engineered mutation |
| Trp 1098 | Tyr 98 | engineered mutation |
| Arg 1149 | - | linker |
| Arg 1150 | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Phe 287 | Cys 287 | engineered mutation |
| Ala 310 | Ser 310 | engineered mutation |
| Glu 311 | - | expression tag |
| Phe 312 | - | expression tag |
| Leu 313 | - | expression tag |
| Glu 314 | - | expression tag |
| Val 315 | - | expression tag |
| Leu 316 | - | expression tag |
| Phe 317 | - | expression tag |
| Gln 318 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 53231.6 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 2908.5 | |
| All* | Total formula weight | 56140.2 |
