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Crystal structure of ATPase delta 1-79 SPA47 R189E

Analyse Crystal structure of ATPase delta 1-79 SPA47 R189E in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6N6Z
Type
protein
Length
668 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
10 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProbable ATP synthase SPAL/MXIB (EC 7.1.2.2)protein33443% helix, 21% strandP0A1C1
BProbable ATP synthase SPAL/MXIB (EC 7.1.2.2)protein33445% helix, 21% strandP0A1C1

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18350.690.7680empty
21540.570.8226empty
3900.520.8317empty
41050.490.8120empty
5920.390.7619empty

Interfaces

1 interface between chains.

  • A–B · 397 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 6N6Z · Crystal Structure of ATPase delta 1-79 Spa47 R189E · 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 0.99

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