MolNFT v1 · #71183 · protein
L-arabinitol 4-dehydrogenase
3M6I: “L-arabinitol 4-dehydrogenase”. X-ray diffraction, 2 ligands (NAD, ZN), 14 pockets (best druggability 0.79). MolNFT v1 #71183 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3M6I
- Type
- protein
- Length
- 716 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-arabinitol 4-dehydrogenase
- EC
- 1.1.1.12
- UniProt
- Q7SI09
- Ligands
- NAD, ZN
- Pockets
- 14 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | L-arabinitol 4-dehydrogenase (EC 1.1.1.12) | protein | 358 | 34% helix, 24% strand | Q7SI09 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 924 | 0.79 | 0.81 | 80 | ZN, NAD |
| 2 | 754 | 0.77 | 0.81 | 79 | ZN, NAD |
| 3 | 219 | 0.59 | 0.81 | 24 | empty |
| 4 | 155 | 0.50 | 0.79 | 27 | empty |
| 5 | 92 | 0.50 | 0.82 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 800 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
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 Q7SI09
- Elsewhere: RCSB PDB 3M6I · PDBe 3M6I · UniProt Q7SI09
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