MolNFT v1 · #21595 · protein

1.9A crystal structure of staphylococcus aureus type I 3- dehydroquinase, apo form

1SFL · 3-dehydroquinate dehydratase: “1.9A crystal structure of staphylococcus aureus type I 3- dehydroquinase, apo form”. X-ray diffraction, 3 pockets (best druggability 0.69). MolNFT v1 #21595 on GenesisL1: 3D structure, binding sites…

PDB: 1SFL
Type: protein
Length: 463 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-dehydroquinate dehydratase
EC: 4.2.1.10
UniProt: Q8NXI0
Pockets: 3 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3-dehydroquinate dehydratase (EC 4.2.1.10)	protein	230	42% helix, 22% strand	Q8NXI0
B	3-dehydroquinate dehydratase (EC 4.2.1.10)	protein	233	42% helix, 21% strand	Q8NXI0

Pockets

3 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	197	0.69	0.87	29	empty
2	87	0.64	0.90	21	empty
3	56	0.36	0.79	18	empty

Interfaces

1 interface between chains.

A–B · 975 Å² buried · 14 hydrogen bonds · protein-protein

Compared structures

1SFL · 1.9A Crystal structure of Staphylococcus aureus type I 3-dehydroquinase, apo form · the same entry in another collection · chain A against A, TM-score 1.00
Q8NXI0 · AlphaFold monomer V2.0 prediction for 3-dehydroquinate dehydratase (Q8NXI0) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 Q8NXI0
Elsewhere: RCSB PDB 1SFL · PDBe 1SFL · UniProt Q8NXI0

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