MolNFT v1 · #26831 · protein

Crystal structure of TT0495 protein from thermus thermophilus HB8

1X1E · 2-deoxy-D-gluconate 3-dehydrogenase: “Crystal structure of TT0495 protein from thermus thermophilus HB8”. X-ray diffraction, 2 pockets (best druggability 0.78). MolNFT v1 #26831 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 1X1E
Type: protein
Length: 239 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 2-deoxy-D-gluconate 3-dehydrogenase
EC: 1.1.1.125
UniProt: Q53W82
Pockets: 2 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	2-deoxy-D-gluconate 3-dehydrogenase (EC 1.1.1.125)	protein	239	46% helix, 16% strand	Q53W82

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	236	0.78	0.91	32	empty
2	87	0.53	0.85	20	empty

Compared structures

1X1E · 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 1X1E · PDBe 1X1E · UniProt Q53W82

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