MolNFT v1 · #32531 · protein

Lectin from ralstonia solanacearum complexed with me-fucoside

2BT9: “Lectin from ralstonia solanacearum complexed with me-fucoside”. X-ray diffraction, 1 ligand (MFU), 1 pocket (best druggability 0.74). MolNFT v1 #32531 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2BT9
Type: protein
Length: 266 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lectin
UniProt: Q8XXK6
Ligands: MFU
Pockets: 1 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 0% helix, 68% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lectin	protein	90	0% helix, 67% strand	Q8XXK6
B	Lectin	protein	88	0% helix, 68% strand	Q8XXK6
C	Lectin	protein	88	0% helix, 68% strand	Q8XXK6

Ligands and binding sites

MFU · methyl alpha-L-fucopyranoside · ligand · 6 copies · chains A, B, C

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	609	0.74	0.82	66	empty

Interfaces

3 interfaces between chains.

A–C · 779 Å² buried · 12 hydrogen bonds · protein-protein
A–B · 775 Å² buried · 10 hydrogen bonds · protein-protein
B–C · 735 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

2BT9 · Lectin from Ralstonia solanacearum complexed with Me-fucoside · 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 Q8XXK6
Elsewhere: RCSB PDB 2BT9 · PDBe 2BT9 · UniProt Q8XXK6

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