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Al-bound structure of the ATALMT1 mutant M60A

Analyse Al-bound structure of the ATALMT1 mutant M60A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7VOJ
Type
protein
Length
800 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Aluminum-activated malate transporter 1
UniProt
Q9SJE9
Ligands
AL
Pockets
12 · best druggability 0.78

Structure

electron microscopy · 1 distinct chain · 77% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAluminum-activated malate transporter 1protein40077% helix, 1% strandQ9SJE9

Ligands and binding sites

  • AL · Aluminum ion · metal · 2 copies · chains A, B
  • ACY · Acetic acid · additive · 4 copies · chains A, B

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

Pockets

12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19100.780.8185empty
22650.580.7834empty
32400.540.7729empty
41410.520.8028empty
51680.510.7825empty

Interfaces

1 interface between chains.

  • A–B · 2949 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 7VOJ · Al-bound structure of the AtALMT1 mutant M60A · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9SJE9 · AlphaFold monomer V2.0 prediction for aluminum-activated malate transporter 1 (Q9SJE9) · a predicted model of the same protein · chain A against A, TM-score 0.94

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