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MolNFT v1 · #154939 · protein

An X-ray structure of ferric F43Y/F46S sperm whale myoglobin in complex with guaiacol

6KRF: “An X-ray structure of ferric F43Y/F46S sperm whale myoglobin in complex with guaiacol”. X-ray diffraction, 2 ligands (HEM, JZ3), 2 pockets (best druggability 0.71). MolNFT v1 #154939 on GenesisL1: 3D structure, binding sites and…

PDB
6KRF
Type
protein
Length
153 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Myoglobin
UniProt
P02185
Ligands
HEM, JZ3
Pockets
2 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMyoglobinprotein15378% helix, 0% strandP02185

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • JZ3 · Guaiacol · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12040.710.8726HEM
2670.430.8113JZ3

Compared structures

  • 6KRF · An X-ray structure of ferric F43Y/F46S sperm whale myoglobin in complex with guaiacol · the same entry in another collection · chain A against A, TM-score 1.00

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