MolNFT v1 · #17383 · protein
Crystal structure of APC1665, yuad protein from bacillus subtilis
1ORU: “Crystal structure of APC1665, yuad protein from bacillus subtilis”. X-ray diffraction, 2 ligands (SO4, CL), 5 pockets (best druggability 0.58). MolNFT v1 #17383 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1ORU
- Type
- protein
- Length
- 364 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Yuad protein
- UniProt
- O32079
- Ligands
- SO4, CL
- Pockets
- 5 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Yuad protein | protein | 182 | 20% helix, 36% strand | O32079 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 86 | 0.58 | 0.87 | 23 | empty |
| 2 | 50 | 0.57 | 0.91 | 16 | empty |
| 3 | 195 | 0.55 | 0.80 | 26 | SO4 |
| 4 | 177 | 0.53 | 0.79 | 25 | SO4 |
| 5 | 87 | 0.34 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1331 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 1ORU · Crystal Structure of APC1665, YUAD protein from Bacillus subtilis · the same entry in another collection · chain A against A, TM-score 1.00
- O32079 · AlphaFold monomer V2.0 prediction for putative metal-sulfur cluster biosynthesis proteins… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O32079
- Elsewhere: RCSB PDB 1ORU · PDBe 1ORU · UniProt O32079
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