MolNFT v1 · #42707 · protein

Xenopus laevis malectin complexed with maltose (GLCALPHA1-4GLC)

2KR2 · Malectin-a: “Xenopus laevis malectin complexed with maltose (GLCALPHA1-4GLC)”. Solution nmr, 2 ligands (BGC, GLC), 2 pockets (best druggability 0.62). MolNFT v1 #42707 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2KR2
Type: protein
Length: 190 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Malectin-a
UniProt: Q6INX3
Ligands: BGC, GLC
Pockets: 2 · best druggability 0.62

Structure

solution nmr · 1 distinct chain · 5% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Malectin-a	protein	190	5% helix, 39% strand	Q6INX3

Ligands and binding sites

BGC · beta-D-glucopyranose · sugar · chains A
GLC · alpha-D-glucopyranose · sugar · chains A

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

Pockets

2 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	172	0.62	0.84	32	empty
2	51	0.33	0.78	10	GLC

Compared structures

2KR2 · Xenopus laevis malectin complexed with maltose (Glcalpha1-4Glc) · the same entry in another collection · chain A against A, TM-score 1.00
Q6INX3 · AlphaFold monomer V2.0 prediction for malectin-a (Q6INX3) · a predicted model of the same protein · chain A against A, TM-score 0.84

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 Q6INX3
Elsewhere: RCSB PDB 2KR2 · PDBe 2KR2 · UniProt Q6INX3

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