MolNFT v1 · #77608 · protein

X-ray crystal structure of the putative N-type ATP pyrophosphatase (PF0828) in complex with AMP from pyrococcus furiosus, northeast structural genomics consortium target PFR23

3RK0 · N-type ATP pyrophosphatase superfamily: “X-ray crystal structure of the putative N-type ATP pyrophosphatase (PF0828) in complex with AMP from…”. X-ray diffraction, 1 ligand (AMP), 2 pockets (best druggability 0.72). MolNFT v1 #77608…

PDB: 3RK0
Type: protein
Length: 214 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: N-type ATP pyrophosphatase superfamily
UniProt: Q8U2K6
Ligands: AMP
Pockets: 2 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	N-type ATP pyrophosphatase superfamily	protein	214	34% helix, 26% strand	Q8U2K6

Ligands and binding sites

AMP · Adenosine monophosphate · ligand · 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	779	0.72	0.77	55	AMP
2	57	0.34	0.78	15	empty

Modifications

Observed in the structure: 5 modified (engineered).

Compared structures

3RK0 · X-ray crystal Structure of the putative N-type ATP pyrophosphatase (PF0828) in complex… · 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 Q8U2K6
Elsewhere: RCSB PDB 3RK0 · PDBe 3RK0 · UniProt Q8U2K6

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