MolNFT v1 · #13531 · protein

The monosaccharide binding site of lentil lectin: an X-ray and molecular modelling study

1LEM: “The monosaccharide binding site of lentil lectin: an X-ray and molecular modelling study”. X-ray diffraction, 3 ligands (GLC, CA, MN), 1 pocket (best druggability 0.35). MolNFT v1 #13531 on GenesisL1: 3D structure, binding sites and…

PDB: 1LEM
Type: protein
Length: 228 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lectin
UniProt: P02870
Ligands: GLC, CA, MN
Pockets: 1 · best druggability 0.35

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lectin	protein	181	3% helix, 48% strand	P02870
B	Lectin	protein	47	9% helix, 64% strand	P02870

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · chains A, B
CA · Calcium ion · metal · chains A
MN · Manganese (II) ion · metal · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	58	0.35	0.78	20	empty

Interfaces

1 interface between chains.

A–B · 3889 Å² buried · 98 hydrogen bonds · protein-protein

Compared structures

1LEM · The monosaccharide binding site of lentil lectin: an X-ray and molecular modelling study · the same entry in another collection · chain A against A, TM-score 1.00
P02870 · AlphaFold monomer V2.0 prediction for lectin (P02870) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P02870
Elsewhere: RCSB PDB 1LEM · PDBe 1LEM · UniProt P02870

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