MolNFT v1 · #148807 · protein
Structure of a modified protein containing a genetically encoded phosphoserine
6FHK · Heat shock 70 kda protein 1A: “Structure of a modified protein containing a genetically encoded phosphoserine”. X-ray diffraction, 4 ligands (ADP, MG, K), 7 pockets (best druggability 0.82). MolNFT v1 #148807 on GenesisL1: 3D…
- PDB
- 6FHK
- Type
- protein
- Length
- 756 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock 70 kda protein 1A
- UniProt
- P0DMV8
- Ligands
- ADP, MG, K, PO4
- Pockets
- 7 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Heat shock 70 kda protein 1A | protein | 378 | 39% helix, 29% strand | P0DMV8 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1046 | 0.82 | 0.83 | 116 | ADP, PO4, MG, K |
| 2 | 224 | 0.77 | 0.92 | 35 | ADP, PO4, MG, K |
| 3 | 373 | 0.61 | 0.77 | 38 | empty |
| 4 | 129 | 0.48 | 0.79 | 21 | empty |
| 5 | 56 | 0.44 | 0.83 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 718 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 6FHK · Structure of a modified protein containing a genetically encoded phosphoserine · the same entry in another collection · chain A against A, 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 A against A, TM-score 0.88
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 6FHK · PDBe 6FHK · UniProt P0DMV8
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