MolNFT v1 · #15373 · protein
Crystal structure of dtdp-6-deoxy-L-lyxo-4-hexulose reductase (rmld) in complex with NADH
1N2S · Dtdp-glucose oxidoreductase: “Crystal structure of dtdp-6-deoxy-L-lyxo-4-hexulose reductase (rmld) in complex with NADH”. X-ray diffraction, 2 ligands (NAI, MG), 2 pockets (best druggability 0.69). MolNFT v1 #15373 on GenesisL1: 3D…
- PDB
- 1N2S
- Type
- protein
- Length
- 298 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dtdp-glucose oxidoreductase
- EC
- 1.1.1.133
- UniProt
- P26392
- Ligands
- NAI, MG
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dtdp-glucose oxidoreductase (EC 1.1.1.133) | protein | 298 | 43% helix, 18% strand | P26392 |
Ligands and binding sites
- NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · chains A
- MG · Magnesium ion · metal · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 558 | 0.69 | 0.78 | 54 | NAI |
| 2 | 92 | 0.43 | 0.79 | 25 | empty |
Compared structures
- 1N2S · Crystal structure of dtdp-6-deoxy-L-lyxo-4-hexulose reductase (rmld) in complex with NADH · the same entry in another collection · chain A against A, TM-score 1.00
- P26392 · AlphaFold monomer V2.0 prediction for dtdp-4-dehydrorhamnose reductase (P26392) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P26392
- Elsewhere: RCSB PDB 1N2S · PDBe 1N2S · UniProt P26392
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