MolNFT v1 · #101537 · protein

Crystal structure of SHP/EID1

4NUF · Maltose ABC transporter periplasmic protein, nuclear…: “Crystal structure of SHP/EID1”. X-ray diffraction, 1 ligand (GLC), 4 pockets (best druggability 0.71). MolNFT v1 #101537 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 4NUF
Type: protein
Length: 565 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Maltose ABC transporter periplasmic protein, nuclear receptor subfamily 0 group B member…
UniProt: K0BGG6, Q62227
Ligands: GLC
Pockets: 4 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 54% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Maltose ABC transporter periplasmic protein, nuclear receptor subfamily 0 group B member 2 chimeric construct	protein	549	54% helix, 14% strand	K0BGG6, Q62227
P	EID1 peptide	protein	16	75% helix, 0% strand	—

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	356	0.71	0.83	38	GLC
2	121	0.60	0.86	27	empty
3	312	0.57	0.77	36	empty
4	209	0.46	0.74	30	empty

Interfaces

1 interface between chains.

A–P · 855 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

4NUF · Crystal Structure of SHP/EID1 · the same entry in another collection · chain A against A, TM-score 1.00
Q62227 · AlphaFold monomer V2.0 prediction for nuclear receptor subfamily 0 group B member 2… · a predicted model of the same protein · chain A against A, TM-score 0.35

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 K0BGG6
Every structure of UniProt Q62227
Elsewhere: RCSB PDB 4NUF · PDBe 4NUF · UniProt K0BGG6 · UniProt Q62227

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