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Deoxy RHB1.1 (recombinant hemoglobin)

Analyse Deoxy RHB1.1 (recombinant hemoglobin) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1C7C
Type
protein
Length
575 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (deoxyhemoglobin (alpha chain)); Protein (deoxyhemoglobin (beta chain))
UniProt
P69905, P68871
Ligands
HEM
Pockets
9 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 79% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein (deoxyhemoglobin (alpha chain))protein28377% helix, 0% strandP69905
B, DProtein (deoxyhemoglobin (beta chain))protein14682% helix, 0% strandP68871

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, D

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

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111880.790.8089empty
22810.740.8629HEM
32190.730.8826HEM
42330.730.8727HEM
52590.720.8629HEM

Interfaces

2 interfaces between chains.

  • A–B · 1552 Ų buried · 19 hydrogen bonds · protein-protein
  • A–D · 1537 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 1C7C · Deoxy RHB1.1 (recombinant hemoglobin) · the same entry in another collection · chain A against A, TM-score 1.00

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