MolNFT v1 · #185638 · protein
Crystal structure of human HSP72-nbd in complex with fragment 1
7Q4R · Heat shock 70 kda protein 1A: “Crystal structure of human HSP72-nbd in complex with fragment 1”. X-ray diffraction, 3 ligands (8X6, MG, PO4), 1 pocket (best druggability 0.79). MolNFT v1 #185638 on GenesisL1: 3D structure, binding…
- PDB
- 7Q4R
- Type
- protein
- Length
- 382 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock 70 kda protein 1A
- UniProt
- P0DMV8
- Ligands
- 8X6, MG, PO4
- Pockets
- 1 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock 70 kda protein 1A | protein | 382 | 40% helix, 27% strand | P0DMV8 |
Ligands and binding sites
- 8X6 · 4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide · ligand · chains A
- MG · Magnesium ion · metal · chains A
- PO4 · Phosphate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 926 | 0.79 | 0.82 | 93 | MG, 8X6, PO4 |
Compared structures
- 7Q4R · Crystal structure of human HSP72-NBD in complex with fragment 1 · 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 0.87
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 7Q4R · PDBe 7Q4R · UniProt P0DMV8
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