MolNFT v1 · #60791 · protein
Crystal structure of a complex of SSE1P and HSP70, selenomethionine- labeled crystals
3D2E · Heat shock protein homolog SSE1: “Crystal structure of a complex of SSE1P and HSP70, selenomethionine- labeled crystals”. X-ray diffraction, 2 ligands (ATP, MG), 20 pockets (best druggability 0.82). MolNFT v1 #60791 on GenesisL1: 3D…
- PDB
- 3D2E
- Type
- protein
- Length
- 2,014 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock protein homolog SSE1; Heat shock 70 kda protein 1
- UniProt
- P32589, P08107
- Ligands
- ATP, MG
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 41% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock protein homolog SSE1 | protein | 629 | 41% helix, 29% strand | P32589 |
| B, D | Heat shock 70 kda protein 1 | protein | 379 | 40% helix, 28% strand | P08107 |
| C | Heat shock protein homolog SSE1 | protein | 627 | 41% helix, 27% strand | P32589 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B, C, D
- MG · Magnesium ion · metal · 2 copies · chains A, C
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1057 | 0.82 | 0.83 | 100 | empty |
| 2 | 787 | 0.78 | 0.82 | 82 | empty |
| 3 | 649 | 0.75 | 0.81 | 84 | empty |
| 4 | 306 | 0.74 | 0.87 | 43 | MG, ATP |
| 5 | 543 | 0.74 | 0.82 | 53 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1731 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 1654 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 274 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 22 modified (engineered).
Compared structures
- 3D2E · Crystal structure of a complex of Sse1p and Hsp70, Selenomethionine-labeled crystals · the same entry in another collection · chain A against A, TM-score 1.00
- P32589 · AlphaFold monomer V2.0 prediction for heat shock protein homolog SSE1 (P32589) · a predicted model of the same protein · chain A 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 P32589
- Every structure of UniProt P08107
- Elsewhere: RCSB PDB 3D2E · PDBe 3D2E · UniProt P32589 · UniProt P08107
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