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Pterocarpus angolensis lectin (pal) in complex with D-mannose (anomeric mixture)

Analyse Pterocarpus angolensis lectin (pal) in complex with D-mannose (anomeric mixture) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2ARE
Type: protein
Length: 480 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lectin
UniProt: Q8GSD2
Ligands: MAN, MN, CA
Pockets: 2 · best druggability 0.31

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Lectin	protein	240	5% helix, 48% strand	Q8GSD2

Ligands and binding sites

MAN · alpha-D-mannopyranose · sugar · 2 copies · chains A, B
MN · Manganese (II) ion · metal · 2 copies · chains A, B
CA · Calcium ion · metal · 2 copies · chains A, B

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	50	0.31	0.77	15	empty
2	57	0.30	0.75	16	empty

Interfaces

1 interface between chains.

A–B · 916 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

2ARE · Pterocarpus angolensis Lectin (PAL) In Complex With D-Mannose (anomeric mixture) · 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 Q8GSD2
Elsewhere: RCSB PDB 2ARE · PDBe 2ARE · UniProt Q8GSD2

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