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MolNFT v1 · #118215 · protein

Crystal structure of murine neuroglobin mutant V101F at 150 mpa pressure

5EV5: “Crystal structure of murine neuroglobin mutant V101F at 150 mpa pressure”. X-ray diffraction, 2 ligands (HEM, SO4), 1 pocket (best druggability 0.75). MolNFT v1 #118215 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5EV5
Type
protein
Length
148 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neuroglobin
UniProt
Q9ER97
Ligands
HEM, SO4
Pockets
1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 82% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANeuroglobinprotein14882% helix, 0% strandQ9ER97

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • SO4 · Sulfate ion · ion · 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
12530.750.8728HEM

Compared structures

  • 5EV5 · Crystal structure of murine neuroglobin mutant V101F at 150 MPa pressure · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9ER97 · AlphaFold monomer V2.0 prediction for neuroglobin (Q9ER97) · a predicted model of the same protein · chain A against A, TM-score 0.99

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