MolNFT v1 · #188828 · protein
Crystal structure of the wdr domain of human DCAF1 in complex with oicr-6766
7UFV · DDB1- and CUL4-associated factor 1: “Crystal structure of the wdr domain of human DCAF1 in complex with oicr-6766”. X-ray diffraction, 2 ligands (N6O, UNX), 4 pockets (best druggability 0.83). MolNFT v1 #188828 on GenesisL1: 3D…
- PDB
- 7UFV
- Type
- protein
- Length
- 588 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DDB1- and CUL4-associated factor 1
- EC
- 2.7.11.1
- UniProt
- Q9Y4B6
- Ligands
- N6O, UNX
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 1% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DDB1- and CUL4-associated factor 1 (EC 2.7.11.1) | protein | 295 | 1% helix, 51% strand | Q9Y4B6 |
| B | DDB1- and CUL4-associated factor 1 (EC 2.7.11.1) | protein | 293 | 1% helix, 52% strand | Q9Y4B6 |
Ligands and binding sites
- N6O · (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide · ligand · 2 copies · chains A, B
- UNX · Unknown atom or ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 908 | 0.83 | 0.85 | 82 | N6O |
| 2 | 726 | 0.81 | 0.85 | 59 | N6O |
| 3 | 89 | 0.52 | 0.84 | 21 | empty |
| 4 | 135 | 0.47 | 0.78 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 633 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 7UFV · Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y4B6 · AlphaFold monomer V2.0 prediction for DDB1- and CUL4-associated factor 1 (Q9Y4B6) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q9Y4B6
- Elsewhere: RCSB PDB 7UFV · PDBe 7UFV · UniProt Q9Y4B6
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