MolNFT v1 · #119612 · protein
A triple mutant of dsbg engineered for denitrosylation
5G1K · Thiol disulfide interchange protein dsbg: “A triple mutant of dsbg engineered for denitrosylation”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.79). MolNFT v1 #119612 on GenesisL1: 3D structure, binding sites…
- PDB
- 5G1K
- Type
- protein
- Length
- 457 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thiol disulfide interchange protein dsbg
- UniProt
- P77202
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thiol disulfide interchange protein dsbg | protein | 228 | 39% helix, 24% strand | P77202 |
| B | Thiol disulfide interchange protein dsbg | protein | 229 | 38% helix, 23% strand | P77202 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 338 | 0.79 | 0.89 | 48 | empty |
| 2 | 126 | 0.44 | 0.77 | 24 | empty |
| 3 | 53 | 0.41 | 0.82 | 13 | empty |
| 4 | 59 | 0.40 | 0.81 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1705 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 5G1K · A triple mutant of DsbG engineered for denitrosylation · the same entry in another collection · chain A against A, TM-score 1.00
- P77202 · AlphaFold monomer V2.0 prediction for THIOL:DISULFIDE interchange protein dsbg (P77202) · a predicted model of the same protein · chain B 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 P77202
- Elsewhere: RCSB PDB 5G1K · PDBe 5G1K · UniProt P77202
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