MolNFT v1 · #92678 · protein

Crystal structure of the liganded chitin oligasaccharide binding protein

4GFR · Peptide ABC transporter, periplasmic peptide-binding protein: “Crystal structure of the liganded chitin oligasaccharide binding protein”. X-ray diffraction, 2 ligands (NAG, MN), 3 pockets (best druggability 0.86). MolNFT v1 #92678…

PDB: 4GFR
Type: protein
Length: 529 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peptide ABC transporter, periplasmic peptide-binding protein
UniProt: Q9KUA3
Ligands: NAG, MN
Pockets: 3 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Peptide ABC transporter, periplasmic peptide-binding protein	protein	529	33% helix, 20% strand	Q9KUA3

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
MN · Manganese (II) ion · metal · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1021	0.86	0.86	105	NAG
2	58	0.46	0.83	17	empty
3	84	0.41	0.79	28	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

4GFR · Crystal Structure of the liganded Chitin Oligasaccharide Binding Protein · 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 Q9KUA3
Elsewhere: RCSB PDB 4GFR · PDBe 4GFR · UniProt Q9KUA3

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.