MolNFT v1 · #65033 · protein
Crystal structure of a putative THIOL:DISULFIDE interchange protein dsbe from chlorobium tepidum
3GL3: “Crystal structure of a putative THIOL:DISULFIDE interchange protein dsbe from chlorobium tepidum”. X-ray diffraction, 3 pockets (best druggability 0.69). MolNFT v1 #65033 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3GL3
- Type
- protein
- Length
- 557 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative THIOL:DISULFIDE interchange protein dsbe
- UniProt
- Q8KDH8
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 4 distinct chains · 36% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative THIOL:DISULFIDE interchange protein dsbe | protein | 141 | 35% helix, 27% strand | Q8KDH8 |
| B | Putative THIOL:DISULFIDE interchange protein dsbe | protein | 141 | 37% helix, 26% strand | Q8KDH8 |
| C | Putative THIOL:DISULFIDE interchange protein dsbe | protein | 138 | 37% helix, 28% strand | Q8KDH8 |
| D | Putative THIOL:DISULFIDE interchange protein dsbe | protein | 137 | 36% helix, 25% strand | Q8KDH8 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 812 | 0.69 | 0.75 | 78 | empty |
| 2 | 123 | 0.41 | 0.76 | 30 | empty |
| 3 | 56 | 0.26 | 0.73 | 17 | empty |
Interfaces
5 interfaces between chains.
- A–D · 680 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 675 Ų buried · 1 hydrogen bond · protein-protein
- C–D · 460 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 92 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 89 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3GL3 · Crystal structure of a putative Thiol:disulfide interchange protein DsbE from Chlorobium… · 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 Q8KDH8
- Elsewhere: RCSB PDB 3GL3 · PDBe 3GL3 · UniProt Q8KDH8
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