MolNFT v1 · #14441 · protein
Corynebacterium 2,5-dkgr a and phe 22 replaced with tyr (F22Y), lys 232 replaced with gly (K232G), arg 238 replaced with his (R238H)AND ala 272 replaced with gly (A272G)IN presence of NADH cofactor
1M9H · 2,5-diketo-D-gluconic acid reductase a: “Corynebacterium 2,5-dkgr a and phe 22 replaced with tyr (F22Y), lys 232 replaced with gly (K232G), arg 238…”. X-ray diffraction, 2 ligands (NAD, SO4), 1 pocket (best druggability 0.59).…
- PDB
- 1M9H
- Type
- protein
- Length
- 277 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2,5-diketo-D-gluconic acid reductase a
- EC
- 1.1.1.-
- UniProt
- P06632
- Ligands
- NAD, SO4
- Pockets
- 1 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2,5-diketo-D-gluconic acid reductase a (EC 1.1.1.-) | protein | 277 | 44% helix, 16% strand | P06632 |
Ligands and binding sites
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 | 256 | 0.59 | 0.79 | 39 | NAD |
Compared structures
- 1M9H · Corynebacterium 2,5-DKGR A and Phe 22 replaced with Tyr (F22Y), Lys 232 replaced with Gly… · the same entry in another collection · chain A against A, TM-score 1.00
- P06632 · AlphaFold monomer V2.0 prediction for 2,5-diketo-D-gluconic acid reductase a (P06632) · 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 P06632
- Elsewhere: RCSB PDB 1M9H · PDBe 1M9H · UniProt P06632
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