MolNFT v1 · #47287 · protein
Crystal structure of a tellurite resistance protein of COG3793 (NPUN_F6341) from nostoc punctiforme pcc 73102 at 1.85 a resolution
2OU3: “Crystal structure of a tellurite resistance protein of COG3793 (NPUN_F6341) from nostoc punctiforme pcc 73102…”. X-ray diffraction, 3 ligands (I3A, ZN, CL), 5 pockets (best druggability 0.82). MolNFT v1 #47287 on GenesisL1: 3D…
- PDB
- 2OU3
- Type
- protein
- Length
- 320 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tellurite resistance protein of COG3793
- Ligands
- I3A, ZN, CL
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Tellurite resistance protein of COG3793 | protein | 160 | 71% helix, 0% strand | — |
Ligands and binding sites
- I3A · 1H-indole-3-carbaldehyde · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 5 copies · chains A, B
- CL · Chloride ion · ion · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 158 | 0.82 | 0.97 | 24 | CL |
| 2 | 51 | 0.73 | 0.99 | 15 | I3A |
| 3 | 113 | 0.52 | 0.82 | 24 | empty |
| 4 | 91 | 0.34 | 0.74 | 16 | empty |
| 5 | 60 | 0.28 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2703 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 2OU3 · Crystal structure of a tellurite resistance protein of cog3793 (npun_f6341) from nostoc… · 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
- Elsewhere: RCSB PDB 2OU3 · PDBe 2OU3
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