MolNFT v1 · #8421 · protein

Epsin enth bound to INS(1,4,5)P3

1H0A: “Epsin enth bound to INS(1,4,5)P3”. X-ray diffraction, 1 ligand (I3P), 2 pockets (best druggability 0.47). MolNFT v1 #8421 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1H0A
Type: protein
Length: 158 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Epsin
UniProt: O88339
Ligands: I3P
Pockets: 2 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 76% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Epsin	protein	158	76% helix, 1% strand	O88339

Ligands and binding sites

I3P · D-myo-inositol-1,4,5-triphosphate · ligand · chains A
DIO · 1,4-diethylene dioxide · additive · 5 copies · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	70	0.47	0.83	13	DIO
2	52	0.26	0.74	11	I3P

Compared structures

1H0A · Epsin ENTH bound to Ins(1,4,5)P3 · the same entry in another collection · chain A against A, TM-score 1.00
O88339 · AlphaFold monomer V2.0 prediction for epsin-1 (O88339) · a predicted model of the same protein · chain A against A, TM-score 0.94

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 O88339
Elsewhere: RCSB PDB 1H0A · PDBe 1H0A · UniProt O88339

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