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Moxr aaa-ATPase rava, spiral open ring conformation

Analyse Moxr aaa-ATPase rava, spiral open ring conformation in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6SZB
Type
protein
Length
2,886 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Rava + mg-ADP
UniProt
P31473
Ligands
ADP
Pockets
20 · best druggability 0.82

Structure

electron microscopy · 1 distinct chain · 41% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
D, C, B, A, F, ERava + mg-ADPprotein48141% helix, 14% strandP31473

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 5 copies · chains D, E, C, B, A, F

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

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19680.820.8393ADP
29660.810.8394ADP
38090.800.8478ADP
47910.800.8473ADP
58140.800.8376ADP

Interfaces

6 interfaces between chains.

  • B–A · 1602 Ų buried · 16 hydrogen bonds · protein-protein
  • C–B · 1588 Ų buried · 15 hydrogen bonds · protein-protein
  • D–E · 1577 Ų buried · 17 hydrogen bonds · protein-protein
  • F–E · 1565 Ų buried · 16 hydrogen bonds · protein-protein
  • D–C · 1560 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 6SZB · MoxR AAA-ATPase RavA, spiral open ring conformation · the same entry in another collection · chain C against C, TM-score 1.00
  • P31473 · AlphaFold monomer V2.0 prediction for ATPase rava (P31473) · a predicted model of the same protein · chain D against A, TM-score 0.82

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