MolNFT v1 · #101857 · protein

Crystal structure of an inositol hexakisphosphate kinase EHIP6KA in complexed with ATP and INS(1,3,4,5,6)P5

4O4E: “Crystal structure of an inositol hexakisphosphate kinase EHIP6KA in complexed with ATP and INS(1,3,4,5,6)P5”. X-ray diffraction, 4 ligands (5MY, ATP, MG), 1 pocket (best druggability 0.70). MolNFT v1 #101857 on GenesisL1: 3D…

PDB: 4O4E
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: 5MY, ATP, MG, PO4
Pockets: 1 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Inositol hexakisphosphate kinase (EC 2.7.4.21)	protein	246	35% helix, 26% strand	N9UNA8

Ligands and binding sites

5MY · Myo-inositol-(1,3,4,5,6)-pentakisphosphate · ligand · chains A
ATP · Adenosine-5'-triphosphate · ligand · chains A
MG · Magnesium ion · metal · 2 copies · chains A
PO4 · Phosphate ion · ion · 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	676	0.70	0.78	62	MG, ATP

Compared structures

4O4E · 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 4O4E · PDBe 4O4E · UniProt N9UNA8

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