MolNFT v1 · #54429 · protein
Crystal structure of flavoprotein nrdi from bacillus anthracis in the semiquinone form
2XOE · Nrdi protein: “Crystal structure of flavoprotein nrdi from bacillus anthracis in the semiquinone form”. X-ray diffraction, 2 ligands (FMN, ZN), 1 pocket (best druggability 0.40). MolNFT v1 #54429 on GenesisL1: 3D structure, binding…
- PDB
- 2XOE
- Type
- protein
- Length
- 118 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nrdi protein
- UniProt
- Q81TB7
- Ligands
- FMN, ZN
- Pockets
- 1 · best druggability 0.40
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nrdi protein | protein | 118 | 45% helix, 25% strand | Q81TB7 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- ZN · Zinc ion · metal · 3 copies · chains A
- ACT · Acetate ion · additive · chains A
- CAC · Cacodylate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 76 | 0.40 | 0.79 | 19 | FMN |
Compared structures
- 2XOE · Crystal structure of flavoprotein NrdI from Bacillus anthracis in the semiqui form · 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 Q81TB7
- Elsewhere: RCSB PDB 2XOE · PDBe 2XOE · UniProt Q81TB7
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