MolNFT v1 · #59747 · protein
A structural basis for substrate and stereo selectivity in octopine dehydrogenase (odh-NADH-pyruvate)
3C7D: “A structural basis for substrate and stereo selectivity in octopine dehydrogenase (odh-NADH-pyruvate)”. X-ray diffraction, 2 ligands (NAD, PYR), 3 pockets (best druggability 0.72). MolNFT v1 #59747 on GenesisL1: 3D structure…
- PDB
- 3C7D
- Type
- protein
- Length
- 393 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Octopine dehydrogenase
- EC
- 1.5.1.11
- UniProt
- Q9BHM6
- Ligands
- NAD, PYR
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Octopine dehydrogenase (EC 1.5.1.11) | protein | 393 | 38% helix, 20% strand | Q9BHM6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 733 | 0.72 | 0.78 | 67 | NAD, PYR |
| 2 | 80 | 0.33 | 0.75 | 23 | empty |
| 3 | 63 | 0.32 | 0.75 | 16 | empty |
Compared structures
- 3C7D · A structural basis for substrate and stereo selectivity in octopine dehydrogenase… · the same entry in another collection · chain B against B, TM-score 1.00
- Q9BHM6 · AlphaFold monomer V2.0 prediction for octopine dehydrogenase (Q9BHM6) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 Q9BHM6
- Elsewhere: RCSB PDB 3C7D · PDBe 3C7D · UniProt Q9BHM6
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