Research workbench
Crystal structure of the B'-a' domain of oxidized protein disulfide isomerase complexed with alpha-synuclein peptide (31-41)
Analyse Crystal structure of the B'-a' domain of oxidized protein disulfide isomerase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5CRW
- Type
- protein
- Length
- 253 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein disulfide-isomerase; Peptide from alpha-synuclein
- EC
- 5.3.4.1
- UniProt
- P55059, D6RA31
- Pockets
- 2 · best druggability 0.28
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein disulfide-isomerase (EC 5.3.4.1) | protein | 242 | 33% helix, 20% strand | P55059 |
| B | Peptide from alpha-synuclein | protein | 11 | 0% helix, 18% strand | D6RA31 |
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 | 55 | 0.28 | 0.74 | 17 | empty |
| 2 | 67 | 0.27 | 0.72 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 395 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 5CRW · Crystal structure of the b'-a' domain of oxidized protein disulfide isomerase complexed… · the same entry in another collection · chain A against A, TM-score 1.00
- P55059 · AlphaFold monomer V2.0 prediction for protein disulfide-isomerase (P55059) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P55059
- Every structure of UniProt D6RA31
- Elsewhere: RCSB PDB 5CRW · PDBe 5CRW · UniProt P55059 · UniProt D6RA31
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