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Crystal structure of 3-dehydroquinate dehydratase from geobacillus kaustophilus HTA426

Analyse Crystal structure of 3-dehydroquinate dehydratase from geobacillus kaustophilus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2YR1
Type: protein
Length: 514 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: Q5KY94
Pockets: 4 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	3-dehydroquinate dehydratase (EC 4.2.1.10)	protein	257	44% helix, 20% strand	Q5KY94

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	142	0.50	0.79	22	empty
2	154	0.48	0.77	19	empty
3	59	0.48	0.85	18	empty
4	52	0.42	0.82	17	empty

Interfaces

1 interface between chains.

A–B · 1216 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

2YR1 · Crystal Structure of 3-dehydroquinate dehydratase from Geobacillus kaustophilus HTA426 · the same entry in another collection · chain A against A, TM-score 1.00
Q5KY94 · AlphaFold monomer V2.0 prediction for 3-dehydroquinate dehydratase (Q5KY94) · a predicted model of the same protein · chain B against A, TM-score 1.00

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Every structure of UniProt Q5KY94
Elsewhere: RCSB PDB 2YR1 · PDBe 2YR1 · UniProt Q5KY94

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