Research workbench

Lectin from bauhinia forficata in complex with globotetraose

Analyse Lectin from bauhinia forficata in complex with globotetraose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5T55
Type: protein
Length: 458 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lectin
UniProt: P86993
Ligands: GAL, NGA, BGC, GLA, CA, CL
Pockets: 2 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Lectin	protein	229	6% helix, 49% strand	P86993

Ligands and binding sites

GAL · beta-D-galactopyranose · sugar · 2 copies · chains A
NGA · 2-acetamido-2-deoxy-beta-D-galactopyranose · sugar · 2 copies · chains A, B
BGC · beta-D-glucopyranose · sugar · chains B
GLA · alpha-D-galactopyranose · sugar · chains B
CA · Calcium ion · metal · 4 copies · chains A, B
CL · Chloride ion · ion · chains B
EDO · 1,2-ethanediol · additive · 10 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	287	0.51	0.74	56	EDO
2	115	0.44	0.78	25	EDO

Interfaces

1 interface between chains.

A–B · 850 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

5T55 · Lectin from bauhinia forficata in complex with globotetraose · the same entry in another collection · chain A against A, TM-score 1.00
P86993 · AlphaFold monomer V2.0 prediction for lectin (P86993) · 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 P86993
Elsewhere: RCSB PDB 5T55 · PDBe 5T55 · UniProt P86993

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