MolNFT v1 · #96436 · protein
Structure of a cyclophilin from citrus sinensis (cscyp) in complex with cyclosporin a
4JJM · Peptidyl-prolyl cis-trans isomerase: “Structure of a cyclophilin from citrus sinensis (cscyp) in complex with cyclosporin a”. X-ray diffraction, 1 pocket (best druggability 0.59). MolNFT v1 #96436 on GenesisL1: 3D structure, binding…
- PDB
- 4JJM
- Type
- protein
- Length
- 361 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptidyl-prolyl cis-trans isomerase; Cyclosporin a
- EC
- 5.2.1.8
- UniProt
- D0ELH5
- Pockets
- 1 · best druggability 0.59
Structure
x-ray diffraction · 3 distinct chains · 13% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptidyl-prolyl cis-trans isomerase (EC 5.2.1.8) | protein | 170 | 14% helix, 33% strand | D0ELH5 |
| B | Peptidyl-prolyl cis-trans isomerase (EC 5.2.1.8) | protein | 169 | 14% helix, 32% strand | D0ELH5 |
| E, F | Cyclosporin a | protein | 11 | 0% helix, 9% strand | — |
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 316 | 0.59 | 0.78 | 47 | empty |
Interfaces
5 interfaces between chains.
- B–E · 479 Ų buried · 7 hydrogen bonds · protein-protein
- A–F · 472 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 331 Ų buried · 3 hydrogen bonds · protein-protein
- A–E · 266 Ų buried · 1 hydrogen bond · protein-protein
- E–F · 91 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified, 2 d-amino (nonstandard, methylation, D-amino acid).
Compared structures
- 4JJM · Structure of a cyclophilin from Citrus sinensis (CsCyp) in complex 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 D0ELH5
- Elsewhere: RCSB PDB 4JJM · PDBe 4JJM · UniProt D0ELH5
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