MolNFT v1 · #15274 · protein
Structure of dkga from E.COLI at 2.13 a resolution solved by molecular replacement
1MZR · 2,5-diketo-D-gluconate reductase a: “Structure of dkga from E.COLI at 2.13 a resolution solved by molecular replacement”. X-ray diffraction, 1 ligand (PO4), 2 pockets (best druggability 0.41). MolNFT v1 #15274 on GenesisL1: 3D…
- PDB
- 1MZR
- Type
- protein
- Length
- 550 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2,5-diketo-D-gluconate reductase a
- EC
- 1.1.1.-
- UniProt
- Q46857
- Ligands
- PO4
- Pockets
- 2 · best druggability 0.41
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2,5-diketo-D-gluconate reductase a (EC 1.1.1.-) | protein | 274 | 41% helix, 17% strand | Q46857 |
| B | 2,5-diketo-D-gluconate reductase a (EC 1.1.1.-) | protein | 276 | 42% helix, 17% strand | Q46857 |
Ligands and binding sites
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 | 93 | 0.41 | 0.77 | 20 | PO4 |
| 2 | 76 | 0.39 | 0.78 | 21 | PO4 |
Compared structures
- 1MZR · Structure of dkga from E.coli at 2.13 A resolution solved by molecular replacement · the same entry in another collection · chain A against A, TM-score 1.00
- Q46857 · AlphaFold monomer V2.0 prediction for 2,5-diketo-D-gluconic acid reductase a (Q46857) · a predicted model of the same protein · 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 Q46857
- Elsewhere: RCSB PDB 1MZR · PDBe 1MZR · UniProt Q46857
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