MolNFT v1 · #108795 · protein

Crystal structure of magnesium transporter mgte

4WIB: “Crystal structure of magnesium transporter mgte”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.74). MolNFT v1 #108795 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4WIB
Type: protein
Length: 356 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Magnesium transporter mgte
UniProt: Q5SMG8
Ligands: CA
Pockets: 2 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 85% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Magnesium transporter mgte	protein	178	85% helix, 0% strand	Q5SMG8

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A, B

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	425	0.74	0.84	67	CA
2	78	0.34	0.75	14	empty

Interfaces

1 interface between chains.

A–B · 2888 Å² buried · 32 hydrogen bonds · protein-protein

Compared structures

4WIB · Crystal structure of Magnesium transporter MgtE · the same entry in another collection · chain A against A, TM-score 1.00
Q5SMG8 · AlphaFold monomer V2.0 prediction for magnesium transporter mgte (Q5SMG8) · a predicted model of the same protein · chain A against A, TM-score 0.93

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 Q5SMG8
Elsewhere: RCSB PDB 4WIB · PDBe 4WIB · UniProt Q5SMG8

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