MolNFT v1 · #183904 · protein
Crystal structure of bovine HSC70(AA1-554)E213A/D214A in complex with 1H-indazole
7O6R · Heat shock cognate 71 kda protein: “Crystal structure of bovine HSC70(AA1-554)E213A/D214A in complex with 1H-indazole”. X-ray diffraction, 3 ligands (LZ1, TMO, K), 4 pockets (best druggability 0.69). MolNFT v1 #183904 on GenesisL1…
- PDB
- 7O6R
- Type
- protein
- Length
- 536 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock cognate 71 kda protein
- UniProt
- P19120
- Ligands
- LZ1, TMO, K
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock cognate 71 kda protein | protein | 536 | 35% helix, 32% strand | P19120 |
Ligands and binding sites
- LZ1 · 1H-indazole · ligand · chains A
- TMO · trimethylamine oxide · ligand · chains A
- K · Potassium ion · metal · 2 copies · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 616 | 0.69 | 0.78 | 59 | empty |
| 2 | 131 | 0.66 | 0.89 | 33 | GOL |
| 3 | 553 | 0.64 | 0.76 | 44 | TMO |
| 4 | 152 | 0.54 | 0.81 | 29 | LZ1 |
Compared structures
- 7O6R · Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with 1H-Indazole · 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 0.64
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 7O6R · PDBe 7O6R · UniProt P19120
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