MolNFT v1 · #53294 · protein

N-terminal domain of BC2L-C lectin from burkholderia cenocepacia

2WQ4: “N-terminal domain of BC2L-C lectin from burkholderia cenocepacia”. X-ray diffraction, 2 ligands (SFU, BR), 2 pockets (best druggability 0.68). MolNFT v1 #53294 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2WQ4
Type: protein
Length: 395 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lectin
UniProt: B4EH86
Ligands: SFU, BR
Pockets: 2 · best druggability 0.68

Structure

x-ray diffraction · 3 distinct chains · 3% helix, 54% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lectin	protein	134	5% helix, 52% strand	B4EH86
B	Lectin	protein	130	0% helix, 55% strand	B4EH86
C	Lectin	protein	131	3% helix, 56% strand	B4EH86

Ligands and binding sites

SFU · methyl 1-seleno-alpha-L-fucopyranoside · ligand · 3 copies · chains A, C, B
BR · Bromide ion · ion · 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	114	0.68	0.91	23	empty
2	117	0.41	0.76	18	empty

Interfaces

3 interfaces between chains.

B–C · 972 Å² buried · 17 hydrogen bonds · protein-protein
A–C · 963 Å² buried · 15 hydrogen bonds · protein-protein
A–B · 956 Å² buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

2WQ4 · N-terminal domain of BC2L-C Lectin from Burkholderia cenocepacia · 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 B4EH86
Elsewhere: RCSB PDB 2WQ4 · PDBe 2WQ4 · UniProt B4EH86

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.