MolNFT v1 · #31944 · protein

Crystal structure of the cora MG2+ transporter

2BBJ · Divalent cation transport-related protein: “Crystal structure of the cora MG2+ transporter”. X-ray diffraction, 20 pockets (best druggability 0.86). MolNFT v1 #31944 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2BBJ
Type: protein
Length: 1,670 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Divalent cation transport-related protein
UniProt: Q9WZ31
Pockets: 20 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, D, E, F	Divalent cation transport-related protein	protein	334	53% helix, 15% strand	Q9WZ31

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	375	0.86	0.95	51	empty
2	874	0.81	0.84	93	empty
3	838	0.78	0.81	73	empty
4	573	0.74	0.81	40	empty
5	585	0.74	0.81	44	empty

Interfaces

10 interfaces between chains.

A–B · 2786 Å² buried · 36 hydrogen bonds · protein-protein
E–F · 2724 Å² buried · 27 hydrogen bonds · protein-protein
B–D · 2639 Å² buried · 31 hydrogen bonds · protein-protein
A–E · 2631 Å² buried · 26 hydrogen bonds · protein-protein
D–F · 2610 Å² buried · 35 hydrogen bonds · protein-protein

Compared structures

2BBJ · Crystal structure of the CorA Mg2+ transporter · the same entry in another collection · chain F against F, 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 B against A, TM-score 0.95

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 2BBJ · PDBe 2BBJ · UniProt Q9WZ31

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