MolNFT v1 · #95716 · protein
Crystal structure of a putative acylhydrolase (BACUNI_03406) from bacteroides uniformis atcc 8492 at 1.37 a resolution
4IYJ · Gdsl-like protein: “Crystal structure of a putative acylhydrolase (BACUNI_03406) from bacteroides uniformis atcc 8492 at 1.37 a…”. X-ray diffraction, 2 ligands (UNL, CL), 3 pockets (best druggability 0.70). MolNFT v1 #95716 on…
- PDB
- 4IYJ
- Type
- protein
- Length
- 419 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gdsl-like protein
- UniProt
- A7V743
- Ligands
- UNL, CL
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gdsl-like protein | protein | 211 | 51% helix, 13% strand | A7V743 |
| B | Gdsl-like protein | protein | 208 | 50% helix, 13% strand | A7V743 |
Ligands and binding sites
- UNL · Unknown ligand · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 167 | 0.70 | 0.89 | 33 | empty |
| 2 | 120 | 0.62 | 0.87 | 25 | empty |
| 3 | 57 | 0.27 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1220 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 4IYJ · Crystal structure of a putative acylhydrolase (BACUNI_03406) from Bacteroides uniformis… · 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 A7V743
- Elsewhere: RCSB PDB 4IYJ · PDBe 4IYJ · UniProt A7V743
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