MolNFT v1 · #18613 · protein

Solution structure of the mutt pyrophosphohydrolase complexed with MG(2+) and 8-oxo-dgmp, a tightly-bound product

1PUN · Mutator mutt protein: “Solution structure of the mutt pyrophosphohydrolase complexed with MG(2+) and 8-oxo-dgmp, a tightly-bound…”. Solution nmr, 2 ligands (8OG, MG), 1 pocket (best druggability 0.29). MolNFT v1 #18613 on GenesisL1…

PDB: 1PUN
Type: protein
Length: 129 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mutator mutt protein
EC: 3.6.1.-
UniProt: P08337
Ligands: 8OG, MG
Pockets: 1 · best druggability 0.29

Structure

solution nmr · 1 distinct chain · 18% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mutator mutt protein (EC 3.6.1.-)	protein	129	18% helix, 26% strand	P08337

Ligands and binding sites

8OG · 8-oxo-2'-deoxy-guanosine-5'-monophosphate · ligand · chains A
MG · Magnesium ion · metal · 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	54	0.29	0.75	18	empty

Compared structures

1PUN · Solution Structure of the MutT Pyrophosphohydrolase Complexed with Mg(2+) and 8-oxo-dGMP… · the same entry in another collection · chain A against A, TM-score 1.00
P08337 · AlphaFold monomer V2.0 prediction for 8-oxo-dgtp diphosphatase (P08337) · a predicted model of the same protein · chain A against A, TM-score 0.72

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 P08337
Elsewhere: RCSB PDB 1PUN · PDBe 1PUN · UniProt P08337

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