MolNFT v1 · #66039 · protein

Ferric horse heart myoglobin; H64V mutant, nitrite modified

3HEP: “Ferric horse heart myoglobin; H64V mutant, nitrite modified”. X-ray diffraction, 2 ligands (HEM, NO2), 1 pocket (best druggability 0.69). MolNFT v1 #66039 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3HEP
Type: protein
Length: 153 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Myoglobin
UniProt: P68082
Ligands: HEM, NO2
Pockets: 1 · best druggability 0.69

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Myoglobin	protein	153	78% helix, 0% strand	P68082

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
NO2 · Nitrite ion · ion · 2 copies · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	230	0.69	0.84	31	HEM, NO2

Compared structures

3HEP · Ferric Horse Heart Myoglobin; H64V Mutant, Nitrite Modified · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P68082
Elsewhere: RCSB PDB 3HEP · PDBe 3HEP · UniProt P68082

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