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MolNFT v1 · #14884 · protein

Interactions among residues CD3, E7, E10 and E11 in myoglobins: attempts to simulate the O2 and co binding properties of aplysia myoglobin

1MNK: “Interactions among residues CD3, E7, E10 and E11 in myoglobins: attempts to simulate the O2 and co binding…”. X-ray diffraction, 1 ligand (HEM), 2 pockets (best druggability 0.69). MolNFT v1 #14884 on GenesisL1: 3D structure…

PDB
1MNK
Type
protein
Length
302 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Myoglobin
UniProt
P02189
Ligands
HEM
Pockets
2 · best druggability 0.69

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMyoglobinprotein15178% helix, 0% strandP02189

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 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
12070.690.8528HEM
22370.670.8330HEM

Interfaces

1 interface between chains.

  • A–B · 88 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 1MNK · Interactions among residues CD3, E7, E10 and E11 in myoglobins: attempts to simulate the… · 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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