MolNFT v1 · #128269 · protein

Chicken grifin (crystallisation pH: 8.0)

5NLE · Galectin: “Chicken grifin (crystallisation pH: 8.0)”. X-ray diffraction, 2 ligands (GLC, GAL), 1 pocket (best druggability 0.39). MolNFT v1 #128269 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5NLE
Type: protein
Length: 547 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Galectin
UniProt: F1NZ18
Ligands: GLC, GAL
Pockets: 1 · best druggability 0.39

Structure

x-ray diffraction · 3 distinct chains · 2% helix, 59% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Galectin	protein	136	2% helix, 60% strand	F1NZ18
B	Galectin	protein	135	2% helix, 60% strand	F1NZ18
C, D	Galectin	protein	138	2% helix, 59% strand	F1NZ18

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A, B, C, D
GAL · beta-D-galactopyranose · sugar · 4 copies · chains A, B, C, D

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	139	0.39	0.73	24	empty

Interfaces

3 interfaces between chains.

A–D · 816 Å² buried · 20 hydrogen bonds · protein-protein
B–C · 790 Å² buried · 17 hydrogen bonds · protein-protein
A–B · 340 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

5NLE · Chicken GRIFIN (crystallisation pH: 8.0) · 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 F1NZ18
Elsewhere: RCSB PDB 5NLE · PDBe 5NLE · UniProt F1NZ18

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