MolNFT v1 · #112349 · protein
Crystal structure of RV2466C and oxidoreductase from mycobacterium tuberculosis in its reduced state
4ZIL · Dsba oxidoreductase: “Crystal structure of RV2466C and oxidoreductase from mycobacterium tuberculosis in its reduced state”. X-ray diffraction, 1 ligand (MG), 2 pockets (best druggability 0.34). MolNFT v1 #112349 on GenesisL1: 3D…
- PDB
- 4ZIL
- Type
- protein
- Length
- 419 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dsba oxidoreductase
- UniProt
- O53193
- Ligands
- MG
- Pockets
- 2 · best druggability 0.34
Structure
x-ray diffraction · 2 distinct chains · 56% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dsba oxidoreductase | protein | 210 | 56% helix, 15% strand | O53193 |
| B | Dsba oxidoreductase | protein | 209 | 56% helix, 15% strand | O53193 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 85 | 0.34 | 0.75 | 21 | empty |
| 2 | 74 | 0.29 | 0.73 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1857 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 4ZIL · Crystal structure of Rv2466c and oxidoreductase from Mycobacterium tuberculosis in its… · the same entry in another collection · chain A against A, TM-score 1.00
- O53193 · AlphaFold monomer V2.0 prediction for thioredoxin-like reductase RV2466C (O53193) · a predicted model of the same protein · chain B against A, TM-score 0.92
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 O53193
- Elsewhere: RCSB PDB 4ZIL · PDBe 4ZIL · UniProt O53193
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