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Crystal structure and thermal stability of hemoglobin from thermophilic phototrophic bacterium chloroflexus aurantiacus

Analyse Crystal structure and thermal stability of hemoglobin from thermophilic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5D1V
Type
protein
Length
242 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Globin
UniProt
A9WBH0
Ligands
HEM
Pockets
4 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGlobinprotein12165% helix, 0% strandA9WBH0

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

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13310.750.8632HEM
23010.750.8631HEM
31300.390.7516empty
4520.280.7511empty

Interfaces

1 interface between chains.

  • A–B · 230 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 5D1V · Crystal Structure and Thermal Stability of Hemoglobin from Thermophilic Phototrophic… · the same entry in another collection · chain A against A, TM-score 1.00

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