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Crystal structure of a putative hydrolase (AVA_4197) from anabaena variabilis atcc 29413 at 1.35 a resolution
Analyse Crystal structure of a putative hydrolase (AVA_4197) from anabaena variabilis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2QE8
- Type
- protein
- Length
- 673 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q3M5E0
- Ligands
- UNL, SO4
- Pockets
- 6 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 337 | 9% helix, 43% strand | Q3M5E0 |
| B | Uncharacterized protein | protein | 336 | 10% helix, 43% strand | Q3M5E0 |
Ligands and binding sites
- UNL · Unknown ligand · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- GOL · Glycerol · additive · 10 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 199 | 0.67 | 0.85 | 35 | UNL, GOL |
| 2 | 189 | 0.62 | 0.83 | 36 | UNL, GOL |
| 3 | 200 | 0.53 | 0.77 | 27 | empty |
| 4 | 189 | 0.51 | 0.77 | 25 | empty |
| 5 | 63 | 0.33 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 838 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 2QE8 · Crystal structure of a putative hydrolase (ava_4197) from anabaena variabilis atcc 29413… · 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 Q3M5E0
- Elsewhere: RCSB PDB 2QE8 · PDBe 2QE8 · UniProt Q3M5E0
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