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Crystal structure of bovine HSC70(AA1-554)E213A/D214A in complex with triazine-derivative
Analyse Crystal structure of bovine HSC70(AA1-554)E213A/D214A in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7ODB
- 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
- V8Q, K
- Pockets
- 6 · best druggability 0.67
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
- V8Q · 6-methyl-5-sulfanylidene-2H-1,2,4-triazin-3-one · ligand · chains A
- K · Potassium ion · metal · 2 copies · chains A
- GOL · Glycerol · additive · 3 copies · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 63 | 0.67 | 0.95 | 21 | empty |
| 2 | 605 | 0.66 | 0.76 | 45 | GOL, V8Q |
| 3 | 363 | 0.63 | 0.78 | 39 | empty |
| 4 | 272 | 0.60 | 0.79 | 27 | empty |
| 5 | 179 | 0.57 | 0.81 | 29 | GOL |
Compared structures
- 7ODB · Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with triazine-derivative · 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 7ODB · PDBe 7ODB · UniProt P19120
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