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MolNFT v1 · #171430 · protein

Sperm whale myoglobin mutant (H64V V64A) bearing the non-canonical amino acid 2-amino-3-(thiazol-5-YL)PROPANOIC acid as axial heme ligand

6Z4T: “Sperm whale myoglobin mutant (H64V V64A) bearing the non-canonical amino acid…”. X-ray diffraction, 2 ligands (HEM, OXY), 1 pocket (best druggability 0.73). MolNFT v1 #171430 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6Z4T
Type
protein
Length
154 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Myoglobin
UniProt
P02185
Ligands
HEM, OXY
Pockets
1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 81% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMyoglobinprotein15481% helix, 0% strandP02185

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • OXY · Oxygen molecule · 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
12880.730.8531HEM, OXY

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

  • 6Z4T · sperm whale myoglobin mutant (H64V V64A) bearing the non-canonical amino acid… · the same entry in another collection · chain A against A, TM-score 1.00

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