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Group deposition of apo datasets for pandda analysis - crystal structure of apo ecdsba after initial refinement (APO_DATASET_23)

Analyse Group deposition of apo datasets for pandda analysis - crystal structure of apo… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5QNX
Type
protein
Length
376 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
THIOL:DISULFIDE interchange protein
UniProt
A0A073FPA6
Pockets
4 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BTHIOL:DISULFIDE interchange proteinprotein18851% helix, 11% strandA0A073FPA6

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12910.540.7547empty
21810.530.7931empty
3890.360.7516empty
4890.350.7518empty

Interfaces

1 interface between chains.

  • A–B · 791 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 5QNX · Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA… · the same entry in another collection · chain A against A, TM-score 1.00

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