MolNFT v1 · #74312 · protein
Crystal structure of VC2308 protein
3OT1 · 4-methyl-5(B-hydroxyethyl)-thiazole monophosphate…: “Crystal structure of VC2308 protein”. X-ray diffraction, 2 ligands (NA, CL), 5 pockets (best druggability 0.45). MolNFT v1 #74312 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3OT1
- Type
- protein
- Length
- 395 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-methyl-5(B-hydroxyethyl)-thiazole monophosphate biosynthesis enzyme
- UniProt
- Q9KPQ8
- Ligands
- NA, CL
- Pockets
- 5 · best druggability 0.45
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 4-methyl-5(B-hydroxyethyl)-thiazole monophosphate biosynthesis enzyme | protein | 199 | 45% helix, 20% strand | Q9KPQ8 |
| B | 4-methyl-5(B-hydroxyethyl)-thiazole monophosphate biosynthesis enzyme | protein | 196 | 44% helix, 20% strand | Q9KPQ8 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 66 | 0.45 | 0.82 | 16 | empty |
| 2 | 57 | 0.40 | 0.81 | 14 | empty |
| 3 | 52 | 0.33 | 0.78 | 14 | CL |
| 4 | 57 | 0.33 | 0.77 | 16 | CL |
| 5 | 51 | 0.28 | 0.75 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1370 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered, oxidation).
Compared structures
- 3OT1 · Crystal structure of VC2308 protein · 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 Q9KPQ8
- Elsewhere: RCSB PDB 3OT1 · PDBe 3OT1 · UniProt Q9KPQ8
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