MolNFT v1 · #104465 · protein
Crystal structure of a GLYOXALASE/BLEOMYCIN resistance protein from albidiferax ferrireducens T118
4QB5 · GLYOXALASE/BLEOMYCIN resistance PROTEIN/DIOXYGENASE: “Crystal structure of a GLYOXALASE/BLEOMYCIN resistance protein from albidiferax ferrireducens T118”. X-ray diffraction, 1 ligand (SO4), 6 pockets (best druggability 0.75). MolNFT…
- PDB
- 4QB5
- Type
- protein
- Length
- 490 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GLYOXALASE/BLEOMYCIN resistance PROTEIN/DIOXYGENASE
- UniProt
- Q21R90
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 4 distinct chains · 21% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GLYOXALASE/BLEOMYCIN resistance PROTEIN/DIOXYGENASE | protein | 120 | 22% helix, 35% strand | Q21R90 |
| B | GLYOXALASE/BLEOMYCIN resistance PROTEIN/DIOXYGENASE | protein | 124 | 20% helix, 35% strand | Q21R90 |
| C | GLYOXALASE/BLEOMYCIN resistance PROTEIN/DIOXYGENASE | protein | 121 | 21% helix, 36% strand | Q21R90 |
| D | GLYOXALASE/BLEOMYCIN resistance PROTEIN/DIOXYGENASE | protein | 125 | 21% helix, 37% strand | Q21R90 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 84 | 0.75 | 0.97 | 26 | empty |
| 2 | 392 | 0.68 | 0.81 | 57 | empty |
| 3 | 272 | 0.66 | 0.83 | 35 | SO4 |
| 4 | 253 | 0.66 | 0.83 | 34 | EDO |
| 5 | 303 | 0.59 | 0.78 | 39 | empty |
Interfaces
3 interfaces between chains.
- B–D · 1673 Ų buried · 37 hydrogen bonds · protein-protein
- A–C · 1543 Ų buried · 38 hydrogen bonds · protein-protein
- C–D · 386 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 4QB5 · Crystal structure of a glyoxalase/bleomycin resistance protein from Albidiferax… · 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 Q21R90
- Elsewhere: RCSB PDB 4QB5 · PDBe 4QB5 · UniProt Q21R90
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