MolNFT v1 · #96621 · protein
Crystal structure of TT0495 protein from thermus thermophilus HB8
4JP3 · 2-deoxy-D-gluconate 3-dehydrogenase: “Crystal structure of TT0495 protein from thermus thermophilus HB8”. X-ray diffraction, 1 pocket (best druggability 0.76). MolNFT v1 #96621 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4JP3
- Type
- protein
- Length
- 238 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-deoxy-D-gluconate 3-dehydrogenase
- UniProt
- Q53W82
- Pockets
- 1 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-deoxy-D-gluconate 3-dehydrogenase | protein | 238 | 48% helix, 16% strand | Q53W82 |
Ligands and binding sites
- CIT · Citric acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 309 | 0.76 | 0.87 | 46 | CIT |
Compared structures
- 4JP3 · Crystal Structure of TT0495 protein from Thermus thermophilus HB8 · 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 Q53W82
- Elsewhere: RCSB PDB 4JP3 · PDBe 4JP3 · UniProt Q53W82
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