MolNFT v1 · #95891 · protein

Crystal structure of barley limit dextrinase (E510A mutant) in complex with a branched maltohexasaccharide

4J3W: “Crystal structure of barley limit dextrinase (E510A mutant) in complex with a branched maltohexasaccharide”. X-ray diffraction, 3 ligands (GLC, CA, IOD), 6 pockets (best druggability 0.71). MolNFT v1 #95891 on GenesisL1: 3D…

PDB: 4J3W
Type: protein
Length: 862 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Limit dextrinase
EC: 3.2.1.41
UniProt: Q9FYY0
Ligands: GLC, CA, IOD
Pockets: 6 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Limit dextrinase (EC 3.2.1.41)	protein	862	31% helix, 23% strand	Q9FYY0

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · 6 copies · chains A
CA · Calcium ion · metal · chains A
IOD · Iodide ion · ion · 8 copies · chains A

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

Pockets

6 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	580	0.71	0.80	66	GLC
2	109	0.68	0.90	26	empty
3	130	0.61	0.85	29	IOD
4	188	0.50	0.77	26	empty
5	84	0.44	0.80	22	empty

Compared structures

4J3W · Crystal structure of barley limit dextrinase (E510A mutant) in complex with a branched… · 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 Q9FYY0
Elsewhere: RCSB PDB 4J3W · PDBe 4J3W · UniProt Q9FYY0

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