Research workbench
Xfel crystal structure of the human cysteinyl leukotriene receptor 1 in complex with zafirlukast
Analyse Xfel crystal structure of the human cysteinyl leukotriene receptor 1 in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6RZ5
- Type
- protein
- Length
- 754 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cysteinyl leukotriene receptor 1,SOLUBLE cytochrome B562, cysteinyl leukotriene receptor 1
- UniProt
- Q9Y271, P0ABE7
- Ligands
- OLA, ZLK, NA
- Pockets
- 12 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cysteinyl leukotriene receptor 1,SOLUBLE cytochrome B562, cysteinyl leukotriene receptor 1 | protein | 369 | 76% helix, 1% strand | Q9Y271, P0ABE7 |
| B | Cysteinyl leukotriene receptor 1,SOLUBLE cytochrome B562, cysteinyl leukotriene receptor 1 | protein | 385 | 78% helix, 1% strand | Q9Y271, P0ABE7 |
Ligands and binding sites
- OLA · Oleic acid · ligand · 19 copies · chains A, B
- ZLK · zafirlukast · ligand · 3 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 17 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 540 | 0.75 | 0.83 | 49 | ZLK |
| 2 | 527 | 0.75 | 0.82 | 52 | ZLK |
| 3 | 257 | 0.70 | 0.85 | 42 | empty |
| 4 | 396 | 0.70 | 0.81 | 41 | OLC, OLA |
| 5 | 177 | 0.69 | 0.87 | 33 | empty |
Interfaces
1 interface between chains.
- A–B · 398 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6RZ5 · XFEL crystal structure of the human cysteinyl leukotriene receptor 1 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y271 · AlphaFold monomer V2.0 prediction for cysteinyl leukotriene receptor 1 (Q9Y271) · a predicted model of the same protein · chain A against A, TM-score 0.75
- P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain B against A, TM-score 0.28
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9Y271
- Every structure of UniProt P0ABE7
- Elsewhere: RCSB PDB 6RZ5 · PDBe 6RZ5 · UniProt Q9Y271 · UniProt P0ABE7
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