MolNFT v1 · #30050 · protein
Residual dipolar coupling refinement of acireductone dioxygenase from klebsiella
1ZRR · E-2/E-2' protein: “Residual dipolar coupling refinement of acireductone dioxygenase from klebsiella”. Solution nmr, 1 ligand (NI), 1 pocket (best druggability 0.51). MolNFT v1 #30050 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1ZRR
- Type
- protein
- Length
- 179 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- E-2/E-2' protein
- UniProt
- Q9ZFE7
- Ligands
- NI
- Pockets
- 1 · best druggability 0.51
Structure
solution nmr · 1 distinct chain · 25% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | E-2/E-2' protein | protein | 179 | 25% helix, 25% strand | Q9ZFE7 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 186 | 0.51 | 0.77 | 30 | empty |
Compared structures
- 1ZRR · Residual Dipolar Coupling Refinement of Acireductone Dioxygenase from Klebsiella · the same entry in another collection · chain A against A, TM-score 1.00
- Q9ZFE7 · AlphaFold monomer V2.0 prediction for acireductone dioxygenase (Q9ZFE7) · a predicted model of the same protein · chain A against A, TM-score 0.83
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 Q9ZFE7
- Elsewhere: RCSB PDB 1ZRR · PDBe 1ZRR · UniProt Q9ZFE7
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