MolNFT v1 · #146868 · protein
Oligomeric complex of a HSP27 24-mer at 3.6 a resolution
6DV5 · Heat shock protein beta-1: “Oligomeric complex of a HSP27 24-mer at 3.6 a resolution”. X-ray diffraction, 20 pockets (best druggability 0.83). MolNFT v1 #146868 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6DV5
- Type
- protein
- Length
- 4,036 residues
- Chains
- 24
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock protein beta-1
- UniProt
- P04792
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 24 distinct chains · 5% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Heat shock protein beta-1 | protein | 156 | 5% helix, 27% strand | P04792 |
| A | Heat shock protein beta-1 | protein | 181 | 4% helix, 22% strand | P04792 |
| D | Heat shock protein beta-1 | protein | 165 | 4% helix, 26% strand | P04792 |
| F | Heat shock protein beta-1 | protein | 163 | 3% helix, 21% strand | P04792 |
| H | Heat shock protein beta-1 | protein | 160 | 8% helix, 24% strand | P04792 |
| J | Heat shock protein beta-1 | protein | 162 | 5% helix, 26% strand | P04792 |
| L | Heat shock protein beta-1 | protein | 165 | 10% helix, 22% strand | P04792 |
| N | Heat shock protein beta-1 | protein | 162 | 5% helix, 19% strand | P04792 |
| P | Heat shock protein beta-1 | protein | 164 | 9% helix, 25% strand | P04792 |
| R | Heat shock protein beta-1 | protein | 167 | 3% helix, 23% strand | P04792 |
| T | Heat shock protein beta-1 | protein | 166 | 9% helix, 25% strand | P04792 |
| V | Heat shock protein beta-1 | protein | 161 | 5% helix, 25% strand | P04792 |
| X | Heat shock protein beta-1 | protein | 166 | 4% helix, 23% strand | P04792 |
| C | Heat shock protein beta-1 | protein | 166 | 2% helix, 19% strand | P04792 |
| E | Heat shock protein beta-1 | protein | 173 | 6% helix, 22% strand | P04792 |
| G | Heat shock protein beta-1 | protein | 179 | 4% helix, 22% strand | P04792 |
| I | Heat shock protein beta-1 | protein | 169 | 5% helix, 22% strand | P04792 |
| K | Heat shock protein beta-1 | protein | 175 | 2% helix, 21% strand | P04792 |
| M | Heat shock protein beta-1 | protein | 177 | 6% helix, 20% strand | P04792 |
| O | Heat shock protein beta-1 | protein | 174 | 7% helix, 21% strand | P04792 |
| Q | Heat shock protein beta-1 | protein | 161 | 7% helix, 24% strand | P04792 |
| S | Heat shock protein beta-1 | protein | 180 | 3% helix, 18% strand | P04792 |
| U | Heat shock protein beta-1 | protein | 175 | 0% helix, 19% strand | P04792 |
| W | Heat shock protein beta-1 | protein | 169 | 3% helix, 24% strand | P04792 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1151 | 0.83 | 0.84 | 105 | empty |
| 2 | 561 | 0.80 | 0.86 | 77 | empty |
| 3 | 645 | 0.79 | 0.84 | 79 | empty |
| 4 | 845 | 0.79 | 0.82 | 90 | empty |
| 5 | 634 | 0.77 | 0.83 | 75 | empty |
Interfaces
61 interfaces between chains.
- D–C · 2742 Ų buried · 40 hydrogen bonds · protein-protein
- P–Q · 2708 Ų buried · 29 hydrogen bonds · protein-protein
- V–W · 2701 Ų buried · 22 hydrogen bonds · protein-protein
- N–O · 2596 Ų buried · 22 hydrogen bonds · protein-protein
- X–I · 2574 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 6DV5 · Oligomeric complex of a Hsp27 24-mer at 3.6 A resolution · the same entry in another collection · chain R against R, TM-score 1.00
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 P04792
- Elsewhere: RCSB PDB 6DV5 · PDBe 6DV5 · UniProt P04792
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