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C.LACTEUS nerve hb in complex with co

Analyse C.LACTEUS nerve hb in complex with co in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4AVD
Type
protein
Length
110 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neural hemoglobin
UniProt
O76242
Ligands
HEM, SO4, CMO
Pockets
1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANeural hemoglobinprotein11073% helix, 0% strandO76242

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • SO4 · Sulfate ion · ion · 2 copies · chains A
  • CMO · Carbon monoxide · ion · chains A
  • GOL · Glycerol · additive · chains A
  • ACT · Acetate ion · 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
13080.730.8530HEM, CMO

Compared structures

  • 4AVD · C.lacteus nerve Hb in complex with CO · the same entry in another collection · chain A against A, TM-score 1.00
  • O76242 · AlphaFold monomer V2.0 prediction for neural hemoglobin (O76242) · a predicted model of the same protein · chain A against A, TM-score 1.00

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