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Crystal structure of OSHXK6-glc complex

Analyse Crystal structure of OSHXK6-glc complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6JJ7
Type: protein
Length: 1,395 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Rice hexokinase 6
EC: 2.7.1.1
UniProt: Q8LQ68
Ligands: BGC
Pockets: 15 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, E	Rice hexokinase 6 (EC 2.7.1.1)	protein	465	43% helix, 18% strand	Q8LQ68

Ligands and binding sites

BGC · beta-D-glucopyranose · sugar · 3 copies · chains A, C, E

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

Pockets

15 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	624	0.71	0.79	82	BGC
2	490	0.71	0.81	72	BGC
3	715	0.70	0.77	65	empty
4	480	0.70	0.80	64	BGC
5	442	0.69	0.80	44	empty

Interfaces

3 interfaces between chains.

A–E · 659 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 635 Å² buried · 3 hydrogen bonds · protein-protein
C–E · 620 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

6JJ7 · Crystal structure of OsHXK6-Glc complex · the same entry in another collection · chain A against A, TM-score 1.00
Q8LQ68 · AlphaFold monomer V2.0 prediction for hexokinase-6 (Q8LQ68) · a predicted model of the same protein · chain A 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 Q8LQ68
Elsewhere: RCSB PDB 6JJ7 · PDBe 6JJ7 · UniProt Q8LQ68

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