Research workbench
The gr-maturation complex: glucocorticoid receptor in complex with HSP90 and co-chaperone P23
Analyse The gr-maturation complex: glucocorticoid receptor in complex with HSP90 and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7KRJ
- Type
- protein
- Length
- 1,642 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock protein HSP 90-alpha; Prostaglandin E synthase 3; Glucocorticoid receptor
- EC
- 5.3.99.3
- UniProt
- P07900, Q15185, P04150
- Ligands
- ATP, DEX, MG
- Pockets
- 20 · best druggability 0.86
Structure
electron microscopy · 3 distinct chains · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Heat shock protein HSP 90-alpha | protein | 627 | 38% helix, 19% strand | P07900 |
| C | Prostaglandin E synthase 3 (EC 5.3.99.3) | protein | 133 | 11% helix, 44% strand | Q15185 |
| D | Glucocorticoid receptor | protein | 255 | 60% helix, 4% strand | P04150 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- DEX · Dexamethasone · ligand · chains D
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 325 | 0.86 | 0.96 | 31 | DEX |
| 2 | 1029 | 0.86 | 0.87 | 85 | empty |
| 3 | 1155 | 0.83 | 0.84 | 124 | empty |
| 4 | 340 | 0.82 | 0.92 | 43 | ATP, MG |
| 5 | 954 | 0.82 | 0.83 | 124 | empty |
Interfaces
6 interfaces between chains.
- A–B · 4558 Ų buried · 39 hydrogen bonds · protein-protein
- B–D · 1073 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 823 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 713 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 710 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 7KRJ · The GR-Maturation Complex: Glucocorticoid Receptor in complex with Hsp90 and co-chaperone… · the same entry in another collection · chain D against D, TM-score 1.00
- P07900 · AlphaFold monomer V2.0 prediction for heat shock protein HSP 90-alpha (P07900) · a predicted model of the same protein · chain B against A, TM-score 0.99
- P04150 · AlphaFold monomer V2.0 prediction for glucocorticoid receptor (P04150) · a predicted model of the same protein · chain D against A, TM-score 0.97
- Q15185 · AlphaFold monomer V2.0 prediction for prostaglandin E synthase 3 (Q15185) · a predicted model of the same protein · chain C against A, TM-score 0.84
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 P07900
- Every structure of UniProt Q15185
- Every structure of UniProt P04150
- Elsewhere: RCSB PDB 7KRJ · PDBe 7KRJ · UniProt P07900 · UniProt Q15185 · UniProt P04150
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