Research workbench
Structure of PIN1 ppiase domain bound with all-trans retinoic acid
Analyse Structure of PIN1 ppiase domain bound with all-trans retinoic acid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4TNS
- Type
- protein
- Length
- 227 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptidyl-prolyl cis-trans isomerase nima-interacting 1
- EC
- 5.2.1.8
- UniProt
- Q13526
- Ligands
- REA
- Pockets
- 3 · best druggability 0.30
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptidyl-prolyl cis-trans isomerase nima-interacting 1 (EC 5.2.1.8) | protein | 113 | 35% helix, 23% strand | Q13526 |
| B | Peptidyl-prolyl cis-trans isomerase nima-interacting 1 (EC 5.2.1.8) | protein | 114 | 33% helix, 25% strand | Q13526 |
Ligands and binding sites
- REA · Retinoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 63 | 0.30 | 0.74 | 17 | empty |
| 2 | 58 | 0.29 | 0.74 | 15 | REA |
| 3 | 69 | 0.27 | 0.72 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 91 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4TNS · Structure of Pin1 PPIase domain bound with all-trans retinoic acid · 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 Q13526
- Elsewhere: RCSB PDB 4TNS · PDBe 4TNS · UniProt Q13526
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