MolNFT v1 · #38508 · protein
Crystal structure of dsbg V216M mutant
2H0I · THIOL:DISULFIDE interchange protein dsbg: “Crystal structure of dsbg V216M mutant”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.80). MolNFT v1 #38508 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2H0I
- Type
- protein
- Length
- 458 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
- 7 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, 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
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 159 | 0.80 | 0.96 | 30 | empty |
| 2 | 218 | 0.50 | 0.76 | 31 | empty |
| 3 | 159 | 0.46 | 0.76 | 26 | empty |
| 4 | 80 | 0.42 | 0.79 | 18 | empty |
| 5 | 85 | 0.41 | 0.78 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1827 Ų buried · 32 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
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 2H0I · PDBe 2H0I · UniProt P77202
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