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Crystal structure of cytoglobin: the fourth globin type discovered in man displays heme hexa-coordination

Analyse Crystal structure of cytoglobin: the fourth globin type discovered in man… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1URV
Type
protein
Length
308 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytoglobin
UniProt
Q8WWM9
Ligands
HEM, FC6
Pockets
3 · best druggability 0.73

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCytoglobinprotein15479% helix, 0% strandQ8WWM9

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
  • FC6 · Hexacyanoferrate(3-) · ligand · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12540.730.8734HEM
25320.730.8168HEM, FC6
33470.570.7640FC6

Interfaces

1 interface between chains.

  • A–B · 644 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 1URV · Crystal structure of cytoglobin: the fourth globin type discovered in man displays heme… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8WWM9 · AlphaFold monomer V2.0 prediction for cytoglobin (Q8WWM9) · a predicted model of the same protein · chain A against A, TM-score 0.98

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