MolNFT v1 · #72864 · protein
The crystal structure of candida glabrata THI6, a bifunctional enzyme involved in thiamin biosyhthesis of eukaryotes
3NL2 · Thiamine biosynthetic bifunctional enzyme: “The crystal structure of candida glabrata THI6, a bifunctional enzyme involved in thiamin biosyhthesis of…”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #72864 on…
- PDB
- 3NL2
- Type
- protein
- Length
- 3,006 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thiamine biosynthetic bifunctional enzyme
- EC
- 2.5.1.3, 2.7.1.50
- UniProt
- Q6FV03
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 6 distinct chains · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thiamine biosynthetic bifunctional enzyme (EC 2.5.1.3, 2.7.1.50) | protein | 505 | 44% helix, 16% strand | Q6FV03 |
| B | Thiamine biosynthetic bifunctional enzyme (EC 2.5.1.3, 2.7.1.50) | protein | 505 | 44% helix, 16% strand | Q6FV03 |
| C | Thiamine biosynthetic bifunctional enzyme (EC 2.5.1.3, 2.7.1.50) | protein | 498 | 44% helix, 16% strand | Q6FV03 |
| D | Thiamine biosynthetic bifunctional enzyme (EC 2.5.1.3, 2.7.1.50) | protein | 501 | 45% helix, 16% strand | Q6FV03 |
| E | Thiamine biosynthetic bifunctional enzyme (EC 2.5.1.3, 2.7.1.50) | protein | 503 | 44% helix, 16% strand | Q6FV03 |
| F | Thiamine biosynthetic bifunctional enzyme (EC 2.5.1.3, 2.7.1.50) | protein | 494 | 44% helix, 16% strand | Q6FV03 |
Pockets
20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 987 | 0.81 | 0.82 | 103 | empty |
| 2 | 929 | 0.80 | 0.82 | 109 | empty |
| 3 | 159 | 0.80 | 0.96 | 22 | empty |
| 4 | 827 | 0.77 | 0.80 | 76 | empty |
| 5 | 721 | 0.70 | 0.77 | 62 | empty |
Interfaces
9 interfaces between chains.
- C–D · 872 Ų buried · 13 hydrogen bonds · protein-protein
- B–F · 834 Ų buried · 5 hydrogen bonds · protein-protein
- A–E · 781 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 741 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 738 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 3NL2 · The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin… · 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 Q6FV03
- Elsewhere: RCSB PDB 3NL2 · PDBe 3NL2 · UniProt Q6FV03
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