MolNFT v1 · #56787 · protein

Crystal structure of the earthworm R-type lectin C-half in complex with galnac

2ZQO · 29-kda galactose-binding lectin: “Crystal structure of the earthworm R-type lectin C-half in complex with galnac”. X-ray diffraction, 3 ligands (NGA, CD, PO4), 1 pocket (best druggability 0.55). MolNFT v1 #56787 on GenesisL1: 3D…

PDB: 2ZQO
Type: protein
Length: 260 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 29-kda galactose-binding lectin
UniProt: O96048
Ligands: NGA, CD, PO4
Pockets: 1 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	29-kda galactose-binding lectin	protein	130	14% helix, 41% strand	O96048

Ligands and binding sites

NGA · 2-acetamido-2-deoxy-beta-D-galactopyranose · sugar · 4 copies · chains A, B
CD · Cadmium ion · metal · chains A, B
PO4 · Phosphate ion · ion · 3 copies · chains A, B
IMD · Imidazole · additive · chains A, B

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	285	0.55	0.76	50	NGA, IMD

Interfaces

1 interface between chains.

A–B · 249 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

2ZQO · Crystal structure of the earthworm R-type lectin C-half in complex with GalNAc · 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 O96048
Elsewhere: RCSB PDB 2ZQO · PDBe 2ZQO · UniProt O96048

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