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Group deposition of library data - crystal structure of ecdsba after initial refinement with no ligand modelled (structure C1_1)

Analyse Group deposition of library data - crystal structure of ecdsba after initial… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5QLA
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 · 54% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BTHIOL:DISULFIDE interchange proteinprotein18854% 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
11550.540.8023empty
22740.520.7542empty
31240.380.7415empty
4960.360.7517empty

Interfaces

1 interface between chains.

  • A–B · 812 Ų buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 5QLA · Group deposition of library data - Crystal Structure of EcDsbA after initial refinement… · the same entry in another collection · chain A against A, TM-score 1.00

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