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Crystal structure of human corticotropin-releasing factor receptor 1 (CRF1R) in complex with the antagonist cp-376395 in a hexagonal setting with translational non-crystallographic symmetry
Analyse Crystal structure of human corticotropin-releasing factor receptor 1 (CRF1R) in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4Z9G
- Type
- protein
- Length
- 1,239 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Corticotropin-releasing factor receptor 1,LYSOZYME, corticotropin-releasing factor…
- EC
- 3.2.1.17
- UniProt
- P34998, C3V2B5
- Ligands
- OLA, 1Q5, SO4
- Pockets
- 14 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 75% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Corticotropin-releasing factor receptor 1,LYSOZYME, corticotropin-releasing factor receptor 1 (EC 3.2.1.17) | protein | 421 | 74% helix, 3% strand | P34998, C3V2B5 |
| B | Corticotropin-releasing factor receptor 1,LYSOZYME, corticotropin-releasing factor receptor 1 (EC 3.2.1.17) | protein | 415 | 75% helix, 4% strand | P34998, C3V2B5 |
| C | Corticotropin-releasing factor receptor 1,LYSOZYME, corticotropin-releasing factor receptor 1 (EC 3.2.1.17) | protein | 403 | 76% helix, 3% strand | P34998, C3V2B5 |
Ligands and binding sites
- OLA · Oleic acid · ligand · 10 copies · chains A, B, C
- 1Q5 · 3,6-dimethyl-N-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine · ligand · 3 copies · chains A, B, C
- SO4 · Sulfate ion · ion · 3 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 537 | 0.81 | 0.87 | 73 | 1Q5 |
| 2 | 1035 | 0.80 | 0.81 | 95 | 1Q5 |
| 3 | 969 | 0.79 | 0.80 | 103 | OLA, 1Q5 |
| 4 | 413 | 0.71 | 0.82 | 44 | OLA |
| 5 | 434 | 0.65 | 0.78 | 38 | empty |
Interfaces
2 interfaces between chains.
- B–C · 1298 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 205 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 4Z9G · Crystal structure of human corticotropin-releasing factor receptor 1 (CRF1R) in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- P34998 · AlphaFold monomer V2.0 prediction for corticotropin-releasing factor receptor 1 (P34998) · a predicted model of the same protein · chain A against A, TM-score 0.54
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 P34998
- Every structure of UniProt C3V2B5
- Elsewhere: RCSB PDB 4Z9G · PDBe 4Z9G · UniProt P34998 · UniProt C3V2B5
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