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Crystal structure of catalytic mutant E138A of S. aureus autolysin E in complex with disaccharide nag-nam

Analyse Crystal structure of catalytic mutant E138A of S. aureus autolysin E in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4PI8
Type: protein
Length: 222 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Autolysin E
UniProt: Q99RW6
Ligands: AMU, NAG, CL, SO4
Pockets: 1 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Autolysin E	protein	222	48% helix, 8% strand	Q99RW6

Ligands and binding sites

AMU · N-acetyl-beta-muramic acid · ligand · chains A
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
CL · Chloride ion · ion · 14 copies · chains A
SO4 · Sulfate ion · ion · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	92	0.37	0.76	23	CL, SO4

Compared structures

4PI8 · Crystal structure of catalytic mutant E138A of S. Aureus Autolysin E in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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Every structure of UniProt Q99RW6
Elsewhere: RCSB PDB 4PI8 · PDBe 4PI8 · UniProt Q99RW6

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