MolNFT v1 · #152791 · protein
Crystal structure of malate dehydrogenase from mannheimia succiniciproducens in complex with NAD
6ITL: “Crystal structure of malate dehydrogenase from mannheimia succiniciproducens in complex with NAD”. X-ray diffraction, 1 ligand (NAD), 3 pockets (best druggability 0.70). MolNFT v1 #152791 on GenesisL1: 3D structure, binding sites…
- PDB
- 6ITL
- Type
- protein
- Length
- 312 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Malate dehydrogenase
- EC
- 1.1.1.37
- UniProt
- Q65T37
- Ligands
- NAD
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Malate dehydrogenase (EC 1.1.1.37) | protein | 312 | 49% helix, 18% strand | Q65T37 |
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 | 372 | 0.70 | 0.82 | 51 | NAD |
| 2 | 52 | 0.38 | 0.81 | 16 | GOL |
| 3 | 80 | 0.34 | 0.75 | 11 | empty |
Compared structures
- 6ITL · Crystal structure of malate dehydrogenase from Mannheimia succiniciproducens in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- Q65T37 · AlphaFold monomer V2.0 prediction for malate dehydrogenase (Q65T37) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q65T37
- Elsewhere: RCSB PDB 6ITL · PDBe 6ITL · UniProt Q65T37
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