MolNFT v1 · #28135 · protein
Conformation rearrangement of heat shock protein 90 upon ADP binding
1Y4S · Chaperone protein htpg: “Conformation rearrangement of heat shock protein 90 upon ADP binding”. X-ray diffraction, 2 ligands (ADP, MG), 9 pockets (best druggability 0.81). MolNFT v1 #28135 on GenesisL1: 3D structure, binding sites…
- PDB
- 1Y4S
- Type
- protein
- Length
- 950 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chaperone protein htpg
- UniProt
- P0A6Z3
- Ligands
- ADP, MG
- Pockets
- 9 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Chaperone protein htpg | protein | 475 | 35% helix, 22% strand | P0A6Z3 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1043 | 0.81 | 0.82 | 93 | empty |
| 2 | 900 | 0.81 | 0.83 | 77 | MG, ADP |
| 3 | 896 | 0.77 | 0.80 | 64 | MG, ADP |
| 4 | 282 | 0.64 | 0.81 | 24 | empty |
| 5 | 211 | 0.64 | 0.84 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 747 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 1Y4S · Conformation rearrangement of heat shock protein 90 upon ADP binding · the same entry in another collection · chain A against A, TM-score 1.00
- P0A6Z3 · AlphaFold monomer V2.0 prediction for chaperone protein htpg (P0A6Z3) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P0A6Z3
- Elsewhere: RCSB PDB 1Y4S · PDBe 1Y4S · UniProt P0A6Z3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.