MolNFT v1 · #151588 · protein

The crystal structure of type II dehydroquinase from butyrivibrio crossotus dsm 2876

6HS8 · 3-dehydroquinate dehydratase: “The crystal structure of type II dehydroquinase from butyrivibrio crossotus dsm 2876”. X-ray diffraction, 1 ligand (PO4), 1 pocket (best druggability 0.50). MolNFT v1 #151588 on GenesisL1: 3D…

PDB: 6HS8
Type: protein
Length: 144 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-dehydroquinate dehydratase
EC: 4.2.1.10
UniProt: D4S0D1
Ligands: PO4
Pockets: 1 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3-dehydroquinate dehydratase (EC 4.2.1.10)	protein	144	46% helix, 21% strand	D4S0D1

Ligands and binding sites

PO4 · Phosphate ion · ion · chains A
TLA · L(+)-tartaric acid · additive · 3 copies · chains A
GOL · Glycerol · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	92	0.50	0.83	20	TLA, GOL

Compared structures

6HS8 · The crystal structure of type II Dehydroquinase from Butyrivibrio crossotus DSM 2876 · 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 D4S0D1
Elsewhere: RCSB PDB 6HS8 · PDBe 6HS8 · UniProt D4S0D1

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