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Crystal structure of an inositol hexakisphosphate kinase EHIP6KA in complexed with ATP and INSP6

Analyse Crystal structure of an inositol hexakisphosphate kinase EHIP6KA in complexed… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4O4F
Type: protein
Length: 246 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Inositol hexakisphosphate kinase
EC: 2.7.4.21
UniProt: N9UNA8
Ligands: IHP, ATP, MG, PO4
Pockets: 1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Inositol hexakisphosphate kinase (EC 2.7.4.21)	protein	246	36% helix, 26% strand	N9UNA8

Ligands and binding sites

IHP · Inositol hexakisphosphate · ligand · chains A
ATP · Adenosine-5'-triphosphate · ligand · chains A
MG · Magnesium ion · metal · 2 copies · chains A
PO4 · Phosphate ion · ion · 2 copies · 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	698	0.72	0.78	63	MG, IHP, ATP

Compared structures

4O4F · Crystal Structure of an Inositol hexakisphosphate kinase EhIP6KA in complexed with ATP… · 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 N9UNA8
Elsewhere: RCSB PDB 4O4F · PDBe 4O4F · UniProt N9UNA8

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