MolNFT v1 · #113034 · protein

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

5A3B · SIR2 family protein: “Crystal structure of the ADP-ribosylating sirtuin (sirtm) from streptococcus pyogenes in complex with…”. X-ray diffraction, 4 ligands (GLY, ALA, APR), 2 pockets (best druggability 0.69). MolNFT v1 #113034 on…

PDB: 5A3B
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, ALA, APR, ZN
Pockets: 2 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SIR2 family protein (EC 2.4.2.30)	protein	286	44% helix, 15% strand	Q1JGN6

Ligands and binding sites

GLY · Glycine · ligand · 2 copies · chains A
ALA · Alanine · ligand · chains A
APR · Adenosine-5-diphosphoribose · ligand · chains A
ZN · Zinc ion · metal · chains A
EDO · 1,2-ethanediol · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	406	0.69	0.81	46	APR
2	152	0.50	0.78	21	GLY

Compared structures

5A3B · 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

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 Q1JGN6
Elsewhere: RCSB PDB 5A3B · PDBe 5A3B · UniProt Q1JGN6

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