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MolNFT v1 · #15237 · protein

High resolution X-ray structures of pig metmyoglobin and two CD3 mutants MB(LYS45-> arg) and MB(LYS45-> ser)

1MYH: “High resolution X-ray structures of pig metmyoglobin and two CD3 mutants MB(LYS45-> arg) and MB(LYS45-> ser)”. X-ray diffraction, 2 ligands (HEM, SO4), 2 pockets (best druggability 0.71). MolNFT v1 #15237 on GenesisL1: 3D structure…

PDB
1MYH
Type
protein
Length
306 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Myoglobin
UniProt
P02189
Ligands
HEM, SO4
Pockets
2 · best druggability 0.71

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMyoglobinprotein15376% helix, 0% strandP02189

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11940.710.8723HEM
21810.710.8724HEM

Compared structures

  • 1MYH · High resolution X-ray structures of pig metmyoglobin and two CD3 mutants MB(LYS45-> arg)… · the same entry in another collection · chain A against A, TM-score 1.00
  • P02189 · AlphaFold monomer V2.0 prediction for myoglobin (P02189) · a predicted model of the same protein · chain A against A, TM-score 0.99

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