MolNFT v1 · #38052 · protein
Crystal structure of putative dehydratase from salmonella thyphimurium
2GL5 · Putative dehydratase protein: “Crystal structure of putative dehydratase from salmonella thyphimurium”. X-ray diffraction, 1 ligand (MG), 4 pockets (best druggability 0.88). MolNFT v1 #38052 on GenesisL1: 3D structure, binding sites…
- PDB
- 2GL5
- Type
- protein
- Length
- 802 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative dehydratase protein
- UniProt
- Q8ZNH1
- Ligands
- MG
- Pockets
- 4 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative dehydratase protein | protein | 401 | 41% helix, 17% strand | Q8ZNH1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 411 | 0.88 | 0.96 | 37 | GOL |
| 2 | 55 | 0.71 | 0.98 | 24 | empty |
| 3 | 425 | 0.65 | 0.78 | 51 | empty |
| 4 | 389 | 0.64 | 0.79 | 47 | empty |
Interfaces
1 interface between chains.
- A–B · 2466 Ų buried · 34 hydrogen bonds · protein-protein
Compared structures
- 2GL5 · Crystal Structure of Putative Dehydratase from Salmonella Thyphimurium · 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 Q8ZNH1
- Elsewhere: RCSB PDB 2GL5 · PDBe 2GL5 · UniProt Q8ZNH1
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