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MolNFT v1 · #180415 · protein

Crystal structure of I107E cub myoglobin (I107E L29H F43H sperm whale myoglobin)

7KYR: “Crystal structure of I107E cub myoglobin (I107E L29H F43H sperm whale myoglobin)”. X-ray diffraction, 3 ligands (HEM, NA, SO4), 1 pocket (best druggability 0.71). MolNFT v1 #180415 on GenesisL1: 3D structure, binding sites and…

PDB
7KYR
Type
protein
Length
151 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Myoglobin
UniProt
P02185
Ligands
HEM, NA, SO4
Pockets
1 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMyoglobinprotein15179% helix, 0% strandP02185

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • NA · Sodium ion · metal · chains A
  • SO4 · Sulfate ion · ion · chains A
  • PG4 · Tetraethylene glycol · additive · chains A
  • EDO · 1,2-ethanediol · 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
11880.710.8829HEM

Compared structures

  • 7KYR · Crystal structure of I107E CuB myoglobin (I107E L29H F43H sperm whale myoglobin) · the same entry in another collection · chain A against A, TM-score 1.00

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