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MolNFT v1 · #185325 · protein

Crystal structure of campylobacter jejuni DSBA1

7PQ7 · THIOL:DISULFIDE interchange protein dsba: “Crystal structure of campylobacter jejuni DSBA1”. X-ray diffraction, 2 pockets (best druggability 0.60). MolNFT v1 #185325 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7PQ7
Type
protein
Length
379 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
THIOL:DISULFIDE interchange protein dsba
UniProt
A0A1J6PBD5
Pockets
2 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 56% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATHIOL:DISULFIDE interchange protein dsbaprotein19155% helix, 12% strandA0A1J6PBD5
BTHIOL:DISULFIDE interchange protein dsbaprotein18857% helix, 12% strandA0A1J6PBD5

Ligands and binding sites

  • PGE · Triethylene glycol · additive · chains A
  • PG4 · Tetraethylene glycol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13810.600.7739empty
22920.580.7740empty

Interfaces

1 interface between chains.

  • A–B · 121 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 7PQ7 · Crystal structure of Campylobacter jejuni DsbA1 · the same entry in another collection · chain A against A, TM-score 1.00

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