Research workbench
Crystal structure of the FK506 binding domain of plasmodium vivax FKBP35 in complex with FK506
Analyse Crystal structure of the FK506 binding domain of plasmodium vivax FKBP35 in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3IHZ
- Type
- protein
- Length
- 244 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 70 kda peptidylprolyl isomerase, putative
- UniProt
- A5K8X6
- Ligands
- FK5
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 15% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 70 kda peptidylprolyl isomerase, putative | protein | 123 | 15% helix, 38% strand | A5K8X6 |
| B | 70 kda peptidylprolyl isomerase, putative | protein | 121 | 15% helix, 38% strand | A5K8X6 |
Ligands and binding sites
- FK5 · 8-deethyl-8-[but-3-enyl]-ascomycin · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 929 | 0.72 | 0.76 | 52 | FK5 |
Interfaces
1 interface between chains.
- A–B · 332 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3IHZ · Crystal structure of the FK506 binding domain of Plasmodium vivax FKBP35 in complex with… · 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 A5K8X6
- Elsewhere: RCSB PDB 3IHZ · PDBe 3IHZ · UniProt A5K8X6
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