MolNFT v1 · #107432 · protein

EUR_01830 (maltotriose-binding protein) complexed with maltotriose

4UA8 · Carbohydrate ABC transporter substrate-binding protein…: “EUR_01830 (maltotriose-binding protein) complexed with maltotriose”. X-ray diffraction, 1 ligand (GLC), 3 pockets (best druggability 0.68). MolNFT v1 #107432 on GenesisL1: 3D…

PDB: 4UA8
Type: protein
Length: 383 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Carbohydrate ABC transporter substrate-binding protein, CUT1 family (tc 3.A.1.1.-)
UniProt: D6E1Y1
Ligands: GLC
Pockets: 3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Carbohydrate ABC transporter substrate-binding protein, CUT1 family (tc 3.A.1.1.-)	protein	383	48% helix, 20% strand	D6E1Y1

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · 3 copies · chains A
EDO · 1,2-ethanediol · additive · 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	339	0.68	0.82	35	GLC
2	150	0.49	0.78	21	empty
3	54	0.31	0.76	17	EDO

Compared structures

4UA8 · EUR_01830 (maltotriose-binding protein) complexed with maltotriose · 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 D6E1Y1
Elsewhere: RCSB PDB 4UA8 · PDBe 4UA8 · UniProt D6E1Y1

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