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Crystal structure of ATPase DELTA1-79 SPA47 R191E

Analyse Crystal structure of ATPase DELTA1-79 SPA47 R191E in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6N71
Type
protein
Length
664 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable ATP synthase SPAL/MXIB
EC
7.1.2.2
UniProt
P0A1C1
Pockets
6 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProbable ATP synthase SPAL/MXIB (EC 7.1.2.2)protein33145% helix, 19% strandP0A1C1
BProbable ATP synthase SPAL/MXIB (EC 7.1.2.2)protein33345% helix, 21% strandP0A1C1

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19130.720.7778empty
21680.550.8135empty
3800.490.8316empty
41020.470.8019empty
5740.350.7619empty

Interfaces

1 interface between chains.

  • A–B · 420 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 6N71 · Crystal Structure of ATPase delta1-79 Spa47 R191E · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A1C1 · AlphaFold monomer V2.0 prediction for type 3 secretion system ATPase (P0A1C1) · a predicted model of the same protein · chain A against A, TM-score 0.99

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