MolNFT v1 · #85944 · protein

Hafnia alvei phytase in complex with myo-inositol hexakis sulphate

4ARO · Histidine acid phosphatase: “Hafnia alvei phytase in complex with myo-inositol hexakis sulphate”. X-ray diffraction, 2 ligands (IHS, K), 3 pockets (best druggability 0.65). MolNFT v1 #85944 on GenesisL1: 3D structure, binding sites…

PDB: 4ARO
Type: protein
Length: 401 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Histidine acid phosphatase
EC: 3.1.3.26
UniProt: G9Y2J2
Ligands: IHS, K
Pockets: 3 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Histidine acid phosphatase (EC 3.1.3.26)	protein	401	43% helix, 14% strand	G9Y2J2

Ligands and binding sites

IHS · D-myo-inositol-hexasulphate · ligand · 2 copies · chains A
K · Potassium ion · metal · chains A
PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

3 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	514	0.65	0.77	49	IHS
2	93	0.44	0.80	31	PEG
3	56	0.43	0.83	15	empty

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

4ARO · Hafnia Alvei phytase in complex with myo-inositol hexakis sulphate · 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 G9Y2J2
Elsewhere: RCSB PDB 4ARO · PDBe 4ARO · UniProt G9Y2J2

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.