MolNFT v1 · #57994 · protein
Properties and crystal structure of methylenetetrahydrofolate reductase from thermus thermophilus HB8
3APT: “Properties and crystal structure of methylenetetrahydrofolate reductase from thermus thermophilus HB8”. X-ray diffraction, 1 ligand (FAD), 9 pockets (best druggability 0.74). MolNFT v1 #57994 on GenesisL1: 3D structure, binding…
- PDB
- 3APT
- Type
- protein
- Length
- 567 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methylenetetrahydrofolate reductase
- EC
- 1.5.1.20
- UniProt
- Q5SLG6
- Ligands
- FAD
- Pockets
- 9 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methylenetetrahydrofolate reductase (EC 1.5.1.20) | protein | 292 | 47% helix, 13% strand | Q5SLG6 |
| B | Methylenetetrahydrofolate reductase (EC 1.5.1.20) | protein | 275 | 50% helix, 16% strand | Q5SLG6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 668 | 0.74 | 0.80 | 60 | FAD |
| 2 | 207 | 0.58 | 0.80 | 28 | empty |
| 3 | 363 | 0.55 | 0.74 | 32 | empty |
| 4 | 87 | 0.54 | 0.85 | 23 | empty |
| 5 | 129 | 0.50 | 0.80 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 960 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 3APT · properties and crystal structure of methylenetetrahydrofolate reductase from Thermus… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q5SLG6
- Elsewhere: RCSB PDB 3APT · PDBe 3APT · UniProt Q5SLG6
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