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Crystal structure of the holo form of glutaredoxin C1 from populus tremula X tremuloides
Analyse Crystal structure of the holo form of glutaredoxin C1 from populus tremula X… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2E7P
- Type
- protein
- Length
- 434 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutaredoxin
- UniProt
- Q5PSJ1
- Ligands
- GSH, FES
- Pockets
- 1 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 54% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutaredoxin | protein | 107 | 55% helix, 16% strand | Q5PSJ1 |
| B | Glutaredoxin | protein | 111 | 52% helix, 15% strand | Q5PSJ1 |
| C | Glutaredoxin | protein | 115 | 56% helix, 15% strand | Q5PSJ1 |
| D | Glutaredoxin | protein | 101 | 53% helix, 17% strand | Q5PSJ1 |
Ligands and binding sites
- GSH · Glutathione · ligand · 4 copies · chains A, B, C, D
- FES · Fe2/s2 (inorganic) cluster · ligand · chains A, C
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 | 1061 | 0.78 | 0.80 | 90 | FES, GSH |
Interfaces
5 interfaces between chains.
- A–D · 299 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 295 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 286 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 266 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 232 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 2E7P · Crystal structure of the holo form of glutaredoxin C1 from populus tremula x tremuloides · 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 Q5PSJ1
- Elsewhere: RCSB PDB 2E7P · PDBe 2E7P · UniProt Q5PSJ1
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