MolNFT v1 · #172818 · protein

Galectin-8 N-terminal carbohydrate recognition domain in complex with methyl 3-O-((7-CARBOXY)QUINOLIN-2-yl)-methoxy)-beta-D- galactopyranoside

7AEN · Isoform 2 of galectin-8: “Galectin-8 N-terminal carbohydrate recognition domain in complex with methyl…”. X-ray diffraction, 2 ligands (R8B, CL), 1 pocket (best druggability 0.47). MolNFT v1 #172818 on GenesisL1: 3D structure…

PDB: 7AEN
Type: protein
Length: 298 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Isoform 2 of galectin-8
UniProt: O00214
Ligands: R8B, CL
Pockets: 1 · best druggability 0.47

Structure

x-ray diffraction · 2 distinct chains · 2% helix, 55% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Isoform 2 of galectin-8	protein	150	2% helix, 54% strand	O00214
B	Isoform 2 of galectin-8	protein	148	2% helix, 56% strand	O00214

Ligands and binding sites

R8B · methyl 3-O-((7-carboxy) quinolin-2-yl)-methyl)-beta-D-galactopyranoside · ligand · 2 copies · chains A, B
CL · Chloride ion · ion · chains A, B
GOL · Glycerol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	157	0.47	0.77	25	empty

Interfaces

1 interface between chains.

A–B · 537 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

7AEN · Galectin-8 N-terminal carbohydrate recognition domain in complex with methyl… · the same entry in another collection · chain A against A, TM-score 1.00
O00214 · AlphaFold monomer V2.0 prediction for galectin-8 (O00214) · a predicted model of the same protein · chain B 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 O00214
Elsewhere: RCSB PDB 7AEN · PDBe 7AEN · UniProt O00214

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