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MolNFT v1 · #112434 · protein

Crystal structure of pseudomonas aeruginosa dsba E82I: crystal III

4ZL9 · THIOL:DISULFIDE interchange protein dsba: “Crystal structure of pseudomonas aeruginosa dsba E82I: crystal III”. X-ray diffraction, 1 pocket (best druggability 0.51). MolNFT v1 #112434 on GenesisL1: 3D structure, binding sites and…

PDB
4ZL9
Type
protein
Length
187 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
THIOL:DISULFIDE interchange protein dsba
UniProt
P0C2B2
Pockets
1 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATHIOL:DISULFIDE interchange protein dsbaprotein18752% helix, 14% strandP0C2B2

Ligands and binding sites

  • MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
  • EDO · 1,2-ethanediol · 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12080.510.7632empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 4ZL9 · Crystal structure of Pseudomonas aeruginosa DsbA E82I: Crystal III · the same entry in another collection · chain A against A, TM-score 1.00
  • P0C2B2 · AlphaFold monomer V2.0 prediction for THIOL:DISULFIDE interchange protein dsba (P0C2B2) · a predicted model of the same protein · chain A against A, TM-score 0.99

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