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MolNFT v1 · #152943 · protein

X-ray sequence and high resolution crystal structure of persian sturgeon methemoglobin

6IYH · Alpha chain: “X-ray sequence and high resolution crystal structure of persian sturgeon methemoglobin”. X-ray diffraction, 1 ligand (HEM), 3 pockets (best druggability 0.73). MolNFT v1 #152943 on GenesisL1: 3D structure, binding…

PDB
6IYH
Type
protein
Length
287 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alpha chain; Beta chain
Ligands
HEM
Pockets
3 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAlpha chainprotein14280% helix, 0% strand—
BBeta chainprotein14580% helix, 0% strand—

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
  • PGO · S-1,2-propanediol · additive · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12090.730.8825HEM
22220.720.8727HEM
31630.470.7625PGO

Interfaces

1 interface between chains.

  • A–B · 910 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 6IYH · X-ray sequence and high resolution crystal structure of Persian sturgeon methemoglobin · the same entry in another collection · chain A against A, TM-score 1.00

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