MolNFT v1 · #90270 · protein

Cora coiled-coil mutant under MG2+ presence

4EED · Magnesium transport protein cora: “Cora coiled-coil mutant under MG2+ presence”. X-ray diffraction, 1 ligand (MG), 20 pockets (best druggability 0.87). MolNFT v1 #90270 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4EED
Type: protein
Length: 1,570 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Magnesium transport protein cora
UniProt: Q9WZ31
Ligands: MG
Pockets: 20 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 58% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E	Magnesium transport protein cora	protein	314	58% helix, 15% strand	Q9WZ31

Ligands and binding sites

MG · Magnesium ion · metal · 14 copies · chains A, B, C, E, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	517	0.87	0.93	64	MG
2	731	0.78	0.83	81	MG
3	409	0.64	0.78	33	empty
4	368	0.63	0.79	33	empty
5	365	0.62	0.78	33	empty

Interfaces

8 interfaces between chains.

A–B · 2132 Å² buried · 15 hydrogen bonds · protein-protein
C–D · 2130 Å² buried · 15 hydrogen bonds · protein-protein
A–E · 2074 Å² buried · 17 hydrogen bonds · protein-protein
B–C · 2070 Å² buried · 12 hydrogen bonds · protein-protein
D–E · 1969 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

4EED · CorA coiled-coil mutant under Mg2+ presence · the same entry in another collection · chain E against E, TM-score 1.00
Q9WZ31 · AlphaFold monomer V2.0 prediction for COBALT/MAGNESIUM transport protein cora (Q9WZ31) · a predicted model of the same protein · chain E against A, TM-score 0.98

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 Q9WZ31
Elsewhere: RCSB PDB 4EED · PDBe 4EED · UniProt Q9WZ31

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