Research workbench
Crystal structure of cyclophilin from Leishmania donovani ligated with cyclosporin A
Analyse Crystal structure of cyclophilin from Leishmania donovani ligated with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3EOV
- Type
- protein
- Length
- 354 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.6
- Source
- LEISHMANIA DONOVANI; SYNTHETIC CONSTRUCT
- Molecule
- Peptidyl-prolyl cis-trans isomerase; Cyclosporin a
- EC
- 5.2.1.8
- UniProt
- Q9U9R3
- Pockets
- 1 · best druggability 0.31
Structure
x-ray diffraction · resolution 2.6 · 2 distinct chains · 14% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Peptidyl-prolyl cis-trans isomerase (EC 5.2.1.8) | protein | 166 | 15% helix, 34% strand | Q9U9R3 |
| C, D | Cyclosporin a | protein | 11 | 0% helix, 9% strand | — |
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 | 53 | 0.31 | 0.77 | 15 | empty |
Interfaces
2 interfaces between chains.
- A–C · 491 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 488 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified, 2 d-amino (nonstandard, methylation, D-amino acid).
Compared structures
- 3EOV · Crystal structure of cyclophilin from leishmania donovani ligated with cyclosporin a · the same entry in another collection · chain A against A, TM-score 1.00
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 Q9U9R3
- Elsewhere: RCSB PDB 3EOV · PDBe 3EOV · UniProt Q9U9R3
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