MolNFT v1 · #63779 · protein
Crystal structure of the rhogap domain of human glucocorticoid receptor DNA-binding factor 1
3FK2: “Crystal structure of the rhogap domain of human glucocorticoid receptor DNA-binding factor 1”. X-ray diffraction, 1 ligand (UNX), 3 pockets (best druggability 0.74). MolNFT v1 #63779 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3FK2
- Type
- protein
- Length
- 780 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucocorticoid receptor DNA-binding factor 1
- UniProt
- Q9NRY4
- Ligands
- UNX
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 65% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Glucocorticoid receptor DNA-binding factor 1 | protein | 196 | 65% helix, 0% strand | Q9NRY4 |
| B | Glucocorticoid receptor DNA-binding factor 1 | protein | 193 | 66% helix, 0% strand | Q9NRY4 |
| C | Glucocorticoid receptor DNA-binding factor 1 | protein | 195 | 66% helix, 0% strand | Q9NRY4 |
Ligands and binding sites
- UNX · Unknown atom or ion · ion · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 896 | 0.74 | 0.78 | 74 | empty |
| 2 | 662 | 0.67 | 0.76 | 51 | empty |
| 3 | 259 | 0.49 | 0.73 | 26 | empty |
Interfaces
4 interfaces between chains.
- B–D · 351 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 310 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 125 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 23 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3FK2 · Crystal structure of the RhoGAP domain of human glucocorticoid receptor DNA-binding… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NRY4 · AlphaFold monomer V2.0 prediction for rho GTPase-activating protein 35 (Q9NRY4) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q9NRY4
- Elsewhere: RCSB PDB 3FK2 · PDBe 3FK2 · UniProt Q9NRY4
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