MolNFT v1 · #76098 · protein

3-hydroxy-3-methylglutaryl-coenzyme a reductase of streptococcus pneumoniae

3QAE: “3-hydroxy-3-methylglutaryl-coenzyme a reductase of streptococcus pneumoniae”. X-ray diffraction, 1 ligand (NA), 4 pockets (best druggability 0.61). MolNFT v1 #76098 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3QAE
Type: protein
Length: 370 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-hydroxy-3-methylglutaryl-coenzyme a reductase
EC: 1.1.1.88
UniProt: Q8DNS5
Ligands: NA
Pockets: 4 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3-hydroxy-3-methylglutaryl-coenzyme a reductase (EC 1.1.1.88)	protein	370	48% helix, 21% strand	Q8DNS5

Ligands and binding sites

NA · Sodium ion · metal · 27 copies · chains A
CIT · Citric acid · additive · chains A
GOL · Glycerol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 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	390	0.61	0.77	44	GOL, NA
2	201	0.53	0.78	25	NA
3	70	0.31	0.74	19	CIT, NA
4	57	0.31	0.76	16	empty

Compared structures

3QAE · 3-hydroxy-3-methylglutaryl-coenzyme A reductase of Streptococcus pneumoniae · 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 Q8DNS5
Elsewhere: RCSB PDB 3QAE · PDBe 3QAE · UniProt Q8DNS5

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