MolNFT v1 · #180330 · protein
Atomic cryoem structure of HSP90-HSP70-hop-gr
7KW7 · Heat shock protein HSP 90-alpha: “Atomic cryoem structure of HSP90-HSP70-hop-gr”. Electron microscopy, 3 ligands (ADP, MG, K), 20 pockets (best druggability 0.85). MolNFT v1 #180330 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7KW7
- Type
- protein
- Length
- 2,727 residues
- Chains
- 6
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock protein HSP 90-alpha; Heat shock 70 kda protein 1A…
- UniProt
- P07900, P0DMV8, P31948, P04150
- Ligands
- ADP, MG, K
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 6 distinct chains · 48% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock protein HSP 90-alpha | protein | 623 | 45% helix, 20% strand | P07900 |
| B | Heat shock protein HSP 90-alpha | protein | 628 | 43% helix, 20% strand | P07900 |
| C | Heat shock 70 kda protein 1A | protein | 511 | 33% helix, 33% strand | P0DMV8 |
| D | Heat shock 70 kda protein 1A | protein | 379 | 39% helix, 28% strand | P0DMV8 |
| E | Stress-induced-phosphoprotein 1 | protein | 327 | 80% helix, 1% strand | P31948 |
| F | Glucocorticoid receptor | protein | 259 | 64% helix, 6% strand | P04150 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains C, D
- MG · Magnesium ion · metal · 2 copies · chains C, D
- K · Potassium ion · metal · 2 copies · chains C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1031 | 0.85 | 0.86 | 109 | empty |
| 2 | 886 | 0.79 | 0.82 | 94 | ADP |
| 3 | 849 | 0.79 | 0.82 | 83 | empty |
| 4 | 650 | 0.77 | 0.83 | 68 | ADP, K |
| 5 | 1105 | 0.77 | 0.79 | 97 | empty |
Interfaces
11 interfaces between chains.
- A–B · 2464 Ų buried · 14 hydrogen bonds · protein-protein
- B–E · 1095 Ų buried · 17 hydrogen bonds · protein-protein
- B–F · 922 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 889 Ų buried · 17 hydrogen bonds · protein-protein
- B–D · 874 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 7KW7 · Atomic cryoEM structure of Hsp90-Hsp70-Hop-GR · the same entry in another collection · chain F against F, TM-score 1.00
- P0DMV8 · AlphaFold monomer V2.0 prediction for heat shock 70 kda protein 1A (P0DMV8) · a predicted model of the same protein · chain D against A, TM-score 0.90
- P07900 · AlphaFold monomer V2.0 prediction for heat shock protein HSP 90-alpha (P07900) · a predicted model of the same protein · chain A against A, TM-score 0.89
- P04150 · AlphaFold monomer V2.0 prediction for glucocorticoid receptor (P04150) · a predicted model of the same protein · chain F against A, TM-score 0.84
- P31948 · AlphaFold monomer V2.0 prediction for stress-induced-phosphoprotein 1 (P31948) · a predicted model of the same protein · chain E against A, TM-score 0.82
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 P0DMV8
- Every structure of UniProt P31948
- Every structure of UniProt P04150
- Elsewhere: RCSB PDB 7KW7 · PDBe 7KW7 · UniProt P07900 · UniProt P0DMV8 · UniProt P31948 · UniProt P04150
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