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MolNFT v1 · #73219 · protein

Crystal structure of the C143A/C166A mutant of ERO1P

3NVJ · Endoplasmic oxidoreductin-1: “Crystal structure of the C143A/C166A mutant of ERO1P”. X-ray diffraction, 3 ligands (NEN, FAD, CD), 7 pockets (best druggability 0.72). MolNFT v1 #73219 on GenesisL1: 3D structure, binding sites and…

PDB
3NVJ
Type
protein
Length
351 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endoplasmic oxidoreductin-1
EC
1.8.4.-
UniProt
Q03103
Ligands
NEN, FAD, CD
Pockets
7 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 60% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndoplasmic oxidoreductin-1 (EC 1.8.4.-)protein35160% helix, 6% strandQ03103

Ligands and binding sites

  • NEN · 1-ethyl-pyrrolidine-2,5-dione · ligand · chains A
  • FAD · Flavin-adenine dinucleotide · ligand · chains A
  • CD · Cadmium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12620.720.8634FAD
21470.520.8023CD
3850.410.7819empty
4660.370.7820empty
5690.340.7511empty

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 3NVJ · Crystal structure of the C143A/C166A mutant of Ero1p · the same entry in another collection · chain A against A, TM-score 1.00
  • Q03103 · AlphaFold monomer V2.0 prediction for endoplasmic oxidoreductin-1 (Q03103) · a predicted model of the same protein · chain A against A, TM-score 0.96

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