MolNFT v1 · #106803 · protein

Structural basis of specific recognition of non-reducing terminal N- acetylglucosamine by an agrocybe aegerita lection

4TQK · Lectin 2: “Structural basis of specific recognition of non-reducing terminal N- acetylglucosamine by an agrocybe…”. X-ray diffraction, 1 ligand (NAG), 3 pockets (best druggability 0.84). MolNFT v1 #106803 on GenesisL1: 3D structure…

PDB: 4TQK
Type: protein
Length: 806 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lectin 2
UniProt: H6CS64
Ligands: NAG
Pockets: 3 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 1% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Lectin 2	protein	403	1% helix, 39% strand	H6CS64

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 11 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1128	0.84	0.85	101	empty
2	978	0.81	0.82	66	empty
3	488	0.71	0.81	56	empty

Interfaces

1 interface between chains.

A–B · 1010 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

4TQK · Structural basis of specific recognition of non-reducing terminal N-acetylglucosamine by… · 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 H6CS64
Elsewhere: RCSB PDB 4TQK · PDBe 4TQK · UniProt H6CS64

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