MolNFT v1 · #80044 · protein
Crystal structure of bacillus anthracis str. ames malate dehydrogenase in closed conformation.
3TL2: “Crystal structure of bacillus anthracis str. ames malate dehydrogenase in closed conformation.”. X-ray diffraction, 1 ligand (SCN), 3 pockets (best druggability 0.71). MolNFT v1 #80044 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3TL2
- 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
- Q6HSF4
- Ligands
- SCN
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Malate dehydrogenase (EC 1.1.1.37) | protein | 312 | 51% helix, 20% strand | Q6HSF4 |
Ligands and binding sites
- SCN · Thiocyanate ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
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 | 323 | 0.71 | 0.84 | 52 | EDO, SCN |
| 2 | 102 | 0.41 | 0.77 | 23 | empty |
| 3 | 62 | 0.29 | 0.74 | 14 | empty |
Compared structures
- 3TL2 · Crystal structure of Bacillus anthracis str. Ames malate dehydrogenase in closed… · the same entry in another collection · chain A against A, TM-score 1.00
- Q6HSF4 · AlphaFold monomer V2.0 prediction for malate dehydrogenase (Q6HSF4) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q6HSF4
- Elsewhere: RCSB PDB 3TL2 · PDBe 3TL2 · UniProt Q6HSF4
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