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Crystal Structure of ATPase delta1-79 Spa47 R191A

Analyse Crystal Structure of ATPase delta1-79 Spa47 R191A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6N70
Type
protein
Length
687 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.738
Source
Shigella flexneri
Molecule
ATP synthase SpaL/MxiB
EC
7.1.2.2
UniProt
P0A1C1
Pockets
10 · best druggability 0.68

Structure

x-ray diffraction · resolution 2.738 · 2 distinct chains · 45% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AATP synthase SpaL/MxiB (EC 7.1.2.2)protein34844% helix, 20% strandP0A1C1
BATP synthase SpaL/MxiB (EC 7.1.2.2)protein33945% helix, 20% strandP0A1C1

Pockets

10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16830.680.7767empty
21180.550.8318empty
31040.520.8219empty
41270.450.7721empty
5530.330.7712empty

Interfaces

1 interface between chains.

  • A–B · 364 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 6N70 · Crystal structure of ATPase DELTA1-79 SPA47 R191A · 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 B against A, TM-score 0.98

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