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MolNFT v1 · #21324 · protein

The X-ray structure of the cyanobacteria synechocystis hemoglobin "cyanoglobin" with azide ligand

1S6A: “The X-ray structure of the cyanobacteria synechocystis hemoglobin "cyanoglobin" with azide ligand”. X-ray diffraction, 2 ligands (HEM, AZI), 1 pocket (best druggability 0.75). MolNFT v1 #21324 on GenesisL1: 3D structure, binding…

PDB
1S6A
Type
protein
Length
123 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cyanoglobin
UniProt
P73925
Ligands
HEM, AZI
Pockets
1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACyanoglobinprotein12373% helix, 0% strandP73925

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • AZI · Azide ion · ion · chains A
  • FLC · Citrate anion · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13930.750.8448FLC, AZI, HEM

Modifications

Observed in the structure: 1 cofactor (heme attachment).

Compared structures

  • 1S6A · The X-ray structure of the cyanobacteria Synechocystis hemoglobin "cyanoglobin" with… · the same entry in another collection · chain A against A, TM-score 1.00
  • P73925 · AlphaFold monomer V2.0 prediction for group 1 truncated hemoglobin glbn (P73925) · a predicted model of the same protein · chain A against A, TM-score 0.96

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