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MolNFT v1 · #187791 · protein

Cryoem structure of the N-terminal-deleted RIX7 aaa-ATPase

7SWL: “Cryoem structure of the N-terminal-deleted RIX7 aaa-ATPase”. Electron microscopy, 3 ligands (ATP, ADP, MG), 20 pockets (best druggability 0.80). MolNFT v1 #187791 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7SWL
Type
protein
Length
3,070 residues
Chains
7
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RIX7; Polyleucine
UniProt
G0RZG1
Ligands
ATP, ADP, MG
Pockets
20 · best druggability 0.80

Structure

electron microscopy · 7 distinct chains · 51% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARIX7protein55354% helix, 11% strandG0RZG1
BRIX7protein55152% helix, 12% strandG0RZG1
CRIX7protein55951% helix, 11% strandG0RZG1
DRIX7protein55551% helix, 12% strandG0RZG1
ERIX7protein48051% helix, 13% strandG0RZG1
FRIX7protein34849% helix, 7% strandG0RZG1
GPolyleucineprotein240% helix, 25% strand—

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 9 copies · chains A, B, C, D, E
  • ADP · Adenosine-5'-diphosphate · ligand · chains E
  • MG · Magnesium ion · metal · 9 copies · chains A, B, C, D, E

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19160.800.8278ATP, MG
210500.790.8195ATP, MG
311090.790.8199ATP, MG
45560.780.8549ATP, MG
57210.780.8375ATP, MG

Interfaces

12 interfaces between chains.

  • A–B · 4403 Ų buried · 35 hydrogen bonds · protein-protein
  • C–D · 4351 Ų buried · 27 hydrogen bonds · protein-protein
  • B–C · 4264 Ų buried · 25 hydrogen bonds · protein-protein
  • D–E · 4213 Ų buried · 32 hydrogen bonds · protein-protein
  • A–F · 2388 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 7SWL · CryoEM structure of the N-terminal-deleted Rix7 AAA-ATPase · the same entry in another collection · chain A against A, TM-score 1.00

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