MolNFT v1 · #65420 · protein

Crystal structure of mg-ATPase nucleotide binding domain

3GWI · Magnesium-transporting ATPase, P-type 1: “Crystal structure of mg-ATPase nucleotide binding domain”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.43). MolNFT v1 #65420 on GenesisL1: 3D structure, binding sites…

PDB: 3GWI
Type: protein
Length: 164 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Magnesium-transporting ATPase, P-type 1
EC: 3.6.3.2
UniProt: P0ABB8
Ligands: SO4
Pockets: 2 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Magnesium-transporting ATPase, P-type 1 (EC 3.6.3.2)	protein	164	34% helix, 36% strand	P0ABB8

Ligands and binding sites

SO4 · Sulfate ion · ion · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	81	0.43	0.80	19	empty
2	65	0.34	0.76	13	empty

Compared structures

3GWI · Crystal Structure of Mg-ATPase Nucleotide binding domain · the same entry in another collection · chain A against A, TM-score 1.00
P0ABB8 · AlphaFold monomer V2.0 prediction for magnesium-transporting ATPase, P-type 1 (P0ABB8) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P0ABB8
Elsewhere: RCSB PDB 3GWI · PDBe 3GWI · UniProt P0ABB8

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