MolNFT v1 · #176262 · protein

The co-bound dimeric structure of K79H/G80A/H81A myoglobin

7DGN: “The co-bound dimeric structure of K79H/G80A/H81A myoglobin”. X-ray diffraction, 3 ligands (HEM, CO, O), 3 pockets (best druggability 0.72). MolNFT v1 #176262 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7DGN
Type: protein
Length: 306 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Myoglobin
UniProt: P68082
Ligands: HEM, CO, O
Pockets: 3 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 80% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Myoglobin	protein	153	80% helix, 0% strand	P68082

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
CO · Cobalt (II) ion · metal · 2 copies · chains A, B
O · Oxygen atom · ion · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	216	0.72	0.87	28	O, HEM
2	225	0.69	0.85	29	HEM, O
3	199	0.50	0.77	26	empty

Interfaces

1 interface between chains.

A–B · 3012 Å² buried · 23 hydrogen bonds · protein-protein

Compared structures

7DGN · The Co-bound dimeric structure of K79H/G80A/H81A myoglobin · 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 7DGN · PDBe 7DGN · UniProt P68082

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