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Crystal structure of the ADP-ribosylating sirtuin (sirtm) from streptococcus pyogenes in complex with NAD

Analyse Crystal structure of the ADP-ribosylating sirtuin (sirtm) from streptococcus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5A3C
Type: protein
Length: 286 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SIR2 family protein
EC: 2.4.2.30
UniProt: Q1JGN6
Ligands: GLY, NAD, ZN
Pockets: 2 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SIR2 family protein (EC 2.4.2.30)	protein	286	45% helix, 15% strand	Q1JGN6

Ligands and binding sites

GLY · Glycine · ligand · 3 copies · chains A
NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
ZN · Zinc ion · metal · chains A
EDO · 1,2-ethanediol · additive · 2 copies · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	370	0.66	0.80	41	NAD
2	154	0.52	0.79	20	EDO

Compared structures

5A3C · Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes in… · the same entry in another collection · chain A against A, TM-score 1.00

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Every structure of UniProt Q1JGN6
Elsewhere: RCSB PDB 5A3C · PDBe 5A3C · UniProt Q1JGN6

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