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MolNFT v1 · #65099 · protein

Crystal structure of a putative protein-disulfide isomerase from pseudomonas syringae to 2.5A resolution.

3GN3: “Crystal structure of a putative protein-disulfide isomerase from pseudomonas syringae to 2.5A resolution.”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.47). MolNFT v1 #65099 on GenesisL1: 3D structure, binding…

PDB
3GN3
Type
protein
Length
358 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative protein-disulfide isomerase
UniProt
Q87W03
Ligands
SO4
Pockets
1 · best druggability 0.47

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPutative protein-disulfide isomeraseprotein17952% helix, 14% strandQ87W03

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1510.470.8511empty

Interfaces

1 interface between chains.

  • A–B · 1513 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 3GN3 · Crystal structure of a putative protein-disulfide isomerase from Pseudomonas syringae to… · the same entry in another collection · chain A against A, TM-score 1.00

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