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Crystal structure of a peptidyl-prolyl cis-trans isomerase with surface mutation R92G from burkholderia pseudomallei complexed with FK506
Analyse Crystal structure of a peptidyl-prolyl cis-trans isomerase with surface… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4DZ2
- Type
- protein
- Length
- 226 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptidyl-prolyl cis-trans isomerase
- EC
- 5.2.1.8
- UniProt
- Q3JK38
- Ligands
- FK5, CA
- Pockets
- 2 · best druggability 0.41
Structure
x-ray diffraction · 1 distinct chain · 8% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Peptidyl-prolyl cis-trans isomerase (EC 5.2.1.8) | protein | 113 | 8% helix, 40% strand | Q3JK38 |
Ligands and binding sites
- FK5 · 8-deethyl-8-[but-3-enyl]-ascomycin · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 79 | 0.41 | 0.78 | 14 | empty |
| 2 | 62 | 0.40 | 0.79 | 9 | empty |
Interfaces
1 interface between chains.
- A–B · 67 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4DZ2 · Crystal structure of a Peptidyl-prolyl cis-trans isomerase with surface mutation R92G… · 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 Q3JK38
- Elsewhere: RCSB PDB 4DZ2 · PDBe 4DZ2 · UniProt Q3JK38
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