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MolNFT v1 · #149604 · protein

Heme-carbene complex in myoglobin H64V/V68A containing an N- methylhistidine as the proximal ligand, 1.6 ångström resolution

6G5B: “Heme-carbene complex in myoglobin H64V/V68A containing an N- methylhistidine as the proximal ligand, 1.6…”. X-ray diffraction, 2 ligands (HEM, EEE), 1 pocket (best druggability 0.74). MolNFT v1 #149604 on GenesisL1: 3D structure…

PDB
6G5B
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, EEE
Pockets
1 · best druggability 0.74

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AMyoglobinprotein15479% helix, 0% strandP02185

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • EEE · Ethyl acetate · ligand · 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
13000.740.8631HEM, EEE

Modifications

Observed in the structure: 1 modified (methylation).

Compared structures

  • 6G5B · Heme-carbene complex in myoglobin H64V/V68A containing an N-methylhistidine as the… · the same entry in another collection · chain A against A, TM-score 1.00

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