MolNFT v1 · #72820 · protein

Crystal structure of the complex formed between typei ribosome inactivating protein and lactose at 2.1A resolution

3NJS: “Crystal structure of the complex formed between typei ribosome inactivating protein and lactose at 2.1A…”. X-ray diffraction, 3 ligands (NAG, BGC, GAL), 2 pockets (best druggability 0.47). MolNFT v1 #72820 on GenesisL1: 3D…

PDB: 3NJS
Type: protein
Length: 246 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ribosome inactivating protein
EC: 3.2.2.22
Ligands: NAG, BGC, GAL
Pockets: 2 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ribosome inactivating protein (EC 3.2.2.22)	protein	246	42% helix, 24% strand	—

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
BGC · beta-D-glucopyranose · sugar · chains A
GAL · beta-D-galactopyranose · sugar · chains A
GOL · Glycerol · additive · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	147	0.47	0.77	24	BGC, GAL
2	76	0.36	0.76	16	empty

Modifications

Observed in the structure: 1 glycan (N-glycosylation).

Compared structures

3NJS · Crystal structure of the complex formed between typeI ribosome inactivating protein and… · 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 3NJS · PDBe 3NJS

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