MolNFT v1 · #112638 · protein

Crystal structure of SMG1 F278D mutant

4ZRE · LIP1, secretory lipase (family 3): “Crystal structure of SMG1 F278D mutant”. X-ray diffraction, 3 ligands (NAG, BMA, CL), 2 pockets (best druggability 0.43). MolNFT v1 #112638 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4ZRE
Type: protein
Length: 279 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: LIP1, secretory lipase (family 3)
UniProt: A8PUY1
Ligands: NAG, BMA, CL
Pockets: 2 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	LIP1, secretory lipase (family 3)	protein	279	29% helix, 21% strand	A8PUY1

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
BMA · beta-D-mannopyranose · sugar
CL · Chloride ion · ion · 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	62	0.43	0.82	21	empty
2	86	0.42	0.79	18	empty

Modifications

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

Compared structures

4ZRE · Crystal structure of SMG1 F278D mutant · 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 A8PUY1
Elsewhere: RCSB PDB 4ZRE · PDBe 4ZRE · UniProt A8PUY1

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