Research workbench
Crystal Structure of HSP72 in complex with ligand 11 at 5.72 MGy X-ray dose
Analyse Crystal Structure of HSP72 in complex with ligand 11 at 5.72 MGy X-ray dose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7GYM
- Type
- protein
- Length
- 385 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.15
- Source
- Homo sapiens
- Molecule
- Heat shock 70 kDa protein 1A
- UniProt
- P0DMV8
- Ligands
- 1PS, A1ACZ, PO4
- Pockets
- 1 · best druggability 0.75
Structure
x-ray diffraction · resolution 2.15 · 1 distinct chain · 39% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock 70 kDa protein 1A | protein | 385 | 39% helix, 29% strand | P0DMV8 |
Ligands and binding sites
- 1PS · 3-pyridinium-1-ylpropane-1-sulfonate · ligand · chains A
- A1ACZ · 8-chloroadenosine · ligand · chains A
- PO4 · Phosphate ion · ion · 4 copies · chains A
- EDO · 1,2-ethanediol · additive · 5 copies · chains A
- DMS · Dimethyl sulfoxide · additive · 3 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 761 | 0.75 | 0.80 | 69 | PO4, EDO, A1ACZ |
Compared structures
- P0DMV8 · AlphaFold monomer V2.0 prediction for heat shock 70 kda protein 1A (P0DMV8) · a predicted model of the same protein · chain A against A, TM-score 0.86
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 P0DMV8
- Elsewhere: RCSB PDB 7GYM · PDBe 7GYM · UniProt P0DMV8
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