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MolNFT v1 · #40303 · protein

Crystal structure of a putative protein disulfide isomerase from nitrosomonas europaea

2IN3 · Hypothetical protein: “Crystal structure of a putative protein disulfide isomerase from nitrosomonas europaea”. X-ray diffraction, 1 ligand (PO4), 3 pockets (best druggability 0.44). MolNFT v1 #40303 on GenesisL1: 3D structure…

PDB
2IN3
Type
protein
Length
204 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical protein
UniProt
Q82S11
Ligands
PO4
Pockets
3 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 55% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical proteinprotein20455% helix, 13% strandQ82S11

Ligands and binding sites

  • PO4 · Phosphate ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · 4 copies · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11190.440.7720empty
2580.380.7916empty
31360.370.7223PO4

Modifications

Observed in the structure: 2 modified (engineered).

Compared structures

  • 2IN3 · Crystal structure of a putative protein disulfide isomerase from Nitrosomonas europaea · the same entry in another collection · chain A against A, TM-score 1.00

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