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MolNFT v1 · #162471 · protein

Ferric murine neuroglobin gly-LOOP44-47/F106A mutant

6RA6 · NEUROGLOBIN,MURINE neuroglobin MUTANT,NEUROGLOBIN: “Ferric murine neuroglobin gly-LOOP44-47/F106A mutant”. X-ray diffraction, 2 ligands (HEM, SO4), 1 pocket (best druggability 0.78). MolNFT v1 #162471 on GenesisL1: 3D structure…

PDB
6RA6
Type
protein
Length
142 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NEUROGLOBIN,MURINE neuroglobin MUTANT,NEUROGLOBIN
UniProt
Q9ER97
Ligands
HEM, SO4
Pockets
1 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 76% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANEUROGLOBIN,MURINE neuroglobin MUTANT,NEUROGLOBINprotein14276% helix, 0% strandQ9ER97

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
  • GOL · Glycerol · additive · 2 copies · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · 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
13080.780.8836HEM

Compared structures

  • 6RA6 · Ferric murine neuroglobin Gly-loop44-47/F106A mutant · 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 0.93

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