MolNFT v1 · #107009 · protein
The FK1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5- DICHLOROPHENYL)SULFONYL]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10- DIAZABICYCLO[4.3.1]DECAN-2-one
4TX0 · Peptidyl-prolyl cis-trans isomerase FKBP5: “The FK1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5…”. X-ray diffraction, 1 ligand (384), 1 pocket (best druggability 0.44). MolNFT v1 #107009 on GenesisL1: 3D structure, binding…
- PDB
- 4TX0
- Type
- protein
- Length
- 128 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptidyl-prolyl cis-trans isomerase FKBP5
- EC
- 5.2.1.8
- UniProt
- Q13451
- Ligands
- 384
- Pockets
- 1 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 17% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptidyl-prolyl cis-trans isomerase FKBP5 (EC 5.2.1.8) | protein | 128 | 17% helix, 35% strand | Q13451 |
Ligands and binding sites
- 384 · (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one · ligand · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 96 | 0.44 | 0.78 | 14 | 384 |
Compared structures
- 4TX0 · The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2… · the same entry in another collection · chain A against A, TM-score 1.00
- Q13451 · AlphaFold monomer V2.0 prediction for peptidyl-prolyl cis-trans isomerase FKBP5 (Q13451) · a predicted model of the same protein · chain A 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 Q13451
- Elsewhere: RCSB PDB 4TX0 · PDBe 4TX0 · UniProt Q13451
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