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Human HSP27 (HSPB1) alpha-crystallin domain in complex with a peptide mimic of its phosphorylatable N-terminal region
Analyse Human HSP27 (HSPB1) alpha-crystallin domain in complex with a peptide mimic of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6GJH
- Type
- protein
- Length
- 712 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock protein beta-1; Ala-leu-ser-arg-gln; Leu-ser-gly-val; Ala-leu-ser-arg
- UniProt
- P04792
- Pockets
- 8 · best druggability 0.70
Structure
x-ray diffraction · 5 distinct chains · 6% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, E, F, G, H, C | Heat shock protein beta-1 | protein | 87 | 7% helix, 54% strand | P04792 |
| D | Heat shock protein beta-1 | protein | 86 | 7% helix, 57% strand | P04792 |
| K | Ala-leu-ser-arg-gln | protein | 5 | 0% helix, 0% strand | — |
| J | Leu-ser-gly-val | protein | 4 | 0% helix, 0% strand | — |
| L, I | Ala-leu-ser-arg | protein | 4 | 0% helix, 0% strand | — |
Ligands and binding sites
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 408 | 0.70 | 0.81 | 46 | empty |
| 2 | 404 | 0.69 | 0.81 | 43 | empty |
| 3 | 296 | 0.65 | 0.81 | 28 | empty |
| 4 | 391 | 0.65 | 0.79 | 32 | empty |
| 5 | 292 | 0.65 | 0.81 | 26 | empty |
Interfaces
16 interfaces between chains.
- E–F · 738 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 714 Ų buried · 17 hydrogen bonds · protein-protein
- G–H · 697 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 695 Ų buried · 20 hydrogen bonds · protein-protein
- D–J · 316 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6GJH · Human Hsp27 (HspB1) alpha-crystallin domain in complex with a peptide mimic of its… · the same entry in another collection · chain I against I, 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 6GJH · PDBe 6GJH · UniProt P04792
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