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Crystal structure of dsba-like protein DR2335 from deinococcus radiodurans R1, C24S mutant protein

Analyse Crystal structure of dsba-like protein DR2335 from deinococcus radiodurans R1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7DKA
Type
protein
Length
421 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dsba domain-containing protein
UniProt
Q9RRZ4
Pockets
9 · best druggability 0.51

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADsba domain-containing proteinprotein21154% helix, 9% strandQ9RRZ4
BDsba domain-containing proteinprotein21052% helix, 9% strandQ9RRZ4

Ligands and binding sites

  • ACT · Acetate ion · additive · 12 copies · chains A, B
  • PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11180.510.8123ACT
22000.480.7526empty
31760.470.7520empty
4980.430.7817empty
5920.400.7820ACT

Interfaces

1 interface between chains.

  • A–B · 589 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent (additive adduct).

Compared structures

  • 7DKA · Crystal structure of DsbA-like protein DR2335 from Deinococcus radiodurans R1, C24S… · the same entry in another collection · chain A against A, TM-score 1.00

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