MolNFT v1 · #62513 · protein
Crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (CRFR1) in complex with crf
3EHU · Fusion protein of CRFR1 extracellular domain and mbp: “Crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (CRFR1)…”. X-ray diffraction, 3 ligands (GLC, CA, NH2), 9 pockets (best…
- PDB
- 3EHU
- Type
- protein
- Length
- 914 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fusion protein of CRFR1 extracellular domain and mbp; Corticoliberin
- UniProt
- P0AEX9, P34998, P06850
- Ligands
- GLC, CA, NH2
- Pockets
- 9 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Fusion protein of CRFR1 extracellular domain and mbp | protein | 441 | 36% helix, 23% strand | P0AEX9, P34998 |
| C, D | Corticoliberin | protein | 16 | 88% helix, 0% strand | P06850 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- NH2 · Amino group · ion · 2 copies · chains A, C, B, D
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1029 | 0.82 | 0.83 | 122 | GLC, CA, BTB |
| 2 | 177 | 0.79 | 0.95 | 35 | empty |
| 3 | 778 | 0.75 | 0.80 | 84 | GLC, CA, BTB |
| 4 | 90 | 0.70 | 0.94 | 26 | empty |
| 5 | 81 | 0.35 | 0.75 | 21 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2282 Ų buried · 28 hydrogen bonds · protein-protein
- B–D · 511 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 507 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 182 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 70 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 3EHU · Crystal structure of the extracellular domain of human corticotropin releasing factor… · the same entry in another collection · chain D against D, TM-score 1.00
- P06850 · AlphaFold monomer V2.0 prediction for corticoliberin (P06850) · a predicted model of the same protein · chain C against A, TM-score 0.66
- 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 0.24
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 P0AEX9
- Every structure of UniProt P34998
- Every structure of UniProt P06850
- Elsewhere: RCSB PDB 3EHU · PDBe 3EHU · UniProt P0AEX9 · UniProt P34998 · UniProt P06850
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