MolNFT v1 · #49717 · protein
Crystal structure of bovine HSC70 (1-394AA)IN the ADP state
2QWL · Heat shock cognate 71 kda protein: “Crystal structure of bovine HSC70 (1-394AA)IN the ADP state”. X-ray diffraction, 3 ligands (ADP, NA, MG), 5 pockets (best druggability 0.75). MolNFT v1 #49717 on GenesisL1: 3D structure, binding…
- PDB
- 2QWL
- Type
- protein
- Length
- 762 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock cognate 71 kda protein
- UniProt
- P19120
- Ligands
- ADP, NA, MG
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Heat shock cognate 71 kda protein | protein | 381 | 41% helix, 28% strand | P19120 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 4 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 581 | 0.75 | 0.83 | 59 | MG, NA, ADP |
| 2 | 510 | 0.75 | 0.83 | 58 | MG, NA, ADP |
| 3 | 241 | 0.51 | 0.75 | 42 | empty |
| 4 | 171 | 0.44 | 0.74 | 26 | empty |
| 5 | 141 | 0.41 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 505 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 2QWL · Crystal structure of bovine hsc70 (1-394aa)in the ADP state · the same entry in another collection · chain A against A, TM-score 1.00
- P19120 · AlphaFold monomer V2.0 prediction for heat shock cognate 71 kda protein (P19120) · 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 P19120
- Elsewhere: RCSB PDB 2QWL · PDBe 2QWL · UniProt P19120
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