MolNFT v1 · #164310 · protein

Three dimensional structure of the giant reed (arundodonax) lectin (adl) complex with N,N'-diacetylchitobiose; 30 seconds soaking

6STQ · Arundo donax lectin (adl): “Three dimensional structure of the giant reed (arundodonax) lectin (adl) complex with…”. X-ray diffraction, 1 ligand (NAG), 3 pockets (best druggability 0.63). MolNFT v1 #164310 on GenesisL1: 3D…

PDB: 6STQ
Type: protein
Length: 330 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Arundo donax lectin (adl)
Ligands: NAG
Pockets: 3 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 22% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Arundo donax lectin (adl)	protein	165	22% helix, 20% strand	—

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A, B
GOL · Glycerol · additive · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	116	0.63	0.88	32	empty
2	111	0.62	0.87	32	empty
3	55	0.33	0.78	19	empty

Interfaces

1 interface between chains.

A–B · 2254 Å² buried · 48 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 34 disulfide (disulfide).

Compared structures

6STQ · Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with… · 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
Elsewhere: RCSB PDB 6STQ · PDBe 6STQ

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