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Crystal structure of the azotobacter vinelandii globin- coupled oxygen sensor in the aquo-met form

Analyse Crystal structure of the azotobacter vinelandii globin- coupled oxygen sensor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4UII
Type
protein
Length
258 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ggdef domain protein
EC
2.7.7.65
UniProt
M9YE33
Ligands
HEM
Pockets
3 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 71% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGgdef domain protein (EC 2.7.7.65)protein13273% helix, 0% strandM9YE33
BGgdef domain protein (EC 2.7.7.65)protein12669% helix, 0% strandM9YE33

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14120.630.7752HEM
22720.560.7623HEM
3810.390.7823empty

Interfaces

1 interface between chains.

  • A–B · 1368 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 4UII · Crystal structure of the Azotobacter vinelandii globin-coupled oxygen sensor in the… · the same entry in another collection · chain A against A, TM-score 1.00

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