MolNFT v1 · #64217 · protein
Crystal structure of a redesigned tpr protein, T-MOD(VMY), in complex with meevf peptide
3FWV · HSC70/HSP90-organizing protein: “Crystal structure of a redesigned tpr protein, T-MOD(VMY), in complex with meevf peptide”. X-ray diffraction, 2 ligands (ACE, NI), 4 pockets (best druggability 0.66). MolNFT v1 #64217 on GenesisL1…
- PDB
- 3FWV
- Type
- protein
- Length
- 266 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HSC70/HSP90-organizing protein; Heat shock protein HSP 90-beta
- UniProt
- P31948, P08238
- Ligands
- ACE, NI
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | HSC70/HSP90-organizing protein | protein | 128 | 82% helix, 0% strand | P31948 |
| C, D | Heat shock protein HSP 90-beta | protein | 5 | 0% helix, 0% strand | P08238 |
Ligands and binding sites
- ACE · Acetyl group · ligand · 2 copies · chains A, C, D
- NI · Nickel (II) ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 290 | 0.66 | 0.82 | 33 | empty |
| 2 | 112 | 0.48 | 0.80 | 15 | empty |
| 3 | 70 | 0.40 | 0.79 | 12 | empty |
| 4 | 81 | 0.36 | 0.75 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–B · 574 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 529 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 508 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 3FWV · Crystal Structure of a Redesigned TPR Protein, T-MOD(VMY), in Complex with MEEVF Peptide · the same entry in another collection · chain A against A, TM-score 1.00
- P31948 · AlphaFold monomer V2.0 prediction for stress-induced-phosphoprotein 1 (P31948) · a predicted model of the same protein · chain A against A, TM-score 0.97
- P08238 · AlphaFold monomer V2.0 prediction for heat shock protein HSP 90-beta (P08238) · a predicted model of the same protein · chain C against A, TM-score 0.85
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 P31948
- Every structure of UniProt P08238
- Elsewhere: RCSB PDB 3FWV · PDBe 3FWV · UniProt P31948 · UniProt P08238
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