MolNFT v1 · #92024 · protein
Crystal structure of urease subunit gamma 2 from brucella melitensis biovar abortus 2308
4FUR: “Crystal structure of urease subunit gamma 2 from brucella melitensis biovar abortus 2308”. X-ray diffraction, 1 ligand (CL), 13 pockets (best druggability 0.73). MolNFT v1 #92024 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4FUR
- Type
- protein
- Length
- 598 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Urease subunit gamma 2
- EC
- 3.5.1.5
- UniProt
- Q2YQE0
- Ligands
- CL
- Pockets
- 13 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, E, F | Urease subunit gamma 2 (EC 3.5.1.5) | protein | 100 | 53% helix, 18% strand | Q2YQE0 |
| B | Urease subunit gamma 2 (EC 3.5.1.5) | protein | 98 | 54% helix, 18% strand | Q2YQE0 |
Ligands and binding sites
- CL · Chloride ion · ion · 13 copies · chains A, C, B, D, E, F
- EDO · 1,2-ethanediol · additive · chains F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 399 | 0.73 | 0.83 | 41 | CL |
| 2 | 513 | 0.70 | 0.80 | 49 | CL |
| 3 | 235 | 0.63 | 0.82 | 22 | CL |
| 4 | 223 | 0.62 | 0.82 | 24 | CL |
| 5 | 224 | 0.62 | 0.81 | 25 | CL |
Interfaces
9 interfaces between chains.
- B–C · 621 Ų buried · 6 hydrogen bonds · protein-protein
- E–F · 614 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 606 Ų buried · 6 hydrogen bonds · protein-protein
- D–E · 584 Ų buried · 5 hydrogen bonds · protein-protein
- D–F · 580 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4FUR · Crystal Structure of Urease subunit gamma 2 from Brucella melitensis biovar Abortus 2308 · the same entry in another collection · chain F against F, TM-score 1.00
- Q2YQE0 · AlphaFold monomer V2.0 prediction for urease subunit gamma 2 (Q2YQE0) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 Q2YQE0
- Elsewhere: RCSB PDB 4FUR · PDBe 4FUR · UniProt Q2YQE0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.