MolNFT v1 · #126905 · protein
The structure of FKBP38 in complex with the meevd tetratricopeptide binding-motif of HSP90
5MGX · Yeast HSP90 C-terminus: “The structure of FKBP38 in complex with the meevd tetratricopeptide binding-motif of HSP90”. X-ray diffraction, 13 pockets (best druggability 0.54). MolNFT v1 #126905 on GenesisL1: 3D structure, binding…
- PDB
- 5MGX
- Type
- protein
- Length
- 1,088 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Yeast HSP90 C-terminus; Peptidyl-prolyl cis-trans isomerase FKBP8
- EC
- 5.2.1.8
- UniProt
- Q14318
- Pockets
- 13 · best druggability 0.54
Structure
x-ray diffraction · 6 distinct chains · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Yeast HSP90 C-terminus | protein | 8 | 0% helix, 0% strand | — |
| C | Yeast HSP90 C-terminus | protein | 6 | 0% helix, 0% strand | — |
| D | Yeast HSP90 C-terminus | protein | 4 | 0% helix, 0% strand | — |
| E | Peptidyl-prolyl cis-trans isomerase FKBP8 (EC 5.2.1.8) | protein | 265 | 50% helix, 17% strand | Q14318 |
| F | Peptidyl-prolyl cis-trans isomerase FKBP8 (EC 5.2.1.8) | protein | 265 | 48% helix, 18% strand | Q14318 |
| G, H | Peptidyl-prolyl cis-trans isomerase FKBP8 (EC 5.2.1.8) | protein | 266 | 50% helix, 18% strand | Q14318 |
Pockets
13 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 194 | 0.54 | 0.78 | 19 | empty |
| 2 | 184 | 0.53 | 0.78 | 27 | empty |
| 3 | 171 | 0.50 | 0.77 | 22 | empty |
| 4 | 136 | 0.48 | 0.78 | 22 | empty |
| 5 | 100 | 0.47 | 0.80 | 18 | empty |
Interfaces
6 interfaces between chains.
- F–H · 726 Ų buried · 8 hydrogen bonds · protein-protein
- B–G · 651 Ų buried · 19 hydrogen bonds · protein-protein
- A–F · 617 Ų buried · 16 hydrogen bonds · protein-protein
- C–E · 568 Ų buried · 15 hydrogen bonds · protein-protein
- E–G · 532 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5MGX · The structure of FKBP38 in complex with the MEEVD tetratricopeptide binding-motif of Hsp90 · the same entry in another collection · chain H against H, TM-score 1.00
- Q14318 · AlphaFold monomer V2.0 prediction for peptidyl-prolyl cis-trans isomerase FKBP8 (Q14318) · a predicted model of the same protein · chain H against A, TM-score 0.99
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 Q14318
- Elsewhere: RCSB PDB 5MGX · PDBe 5MGX · UniProt Q14318
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