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Structure of human soluble guanylate cyclase in the heme oxidised state

Analyse Structure of human soluble guanylate cyclase in the heme oxidised state in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6JT1
Type
protein
Length
1,118 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Guanylate cyclase soluble subunit alpha-1; Guanylate cyclase soluble subunit beta-1
EC
4.6.1.2
UniProt
Q02108, Q02153
Ligands
HEM
Pockets
12 · best druggability 0.82

Structure

electron microscopy · 2 distinct chains · 42% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGuanylate cyclase soluble subunit alpha-1 (EC 4.6.1.2)protein54244% helix, 18% strandQ02108
BGuanylate cyclase soluble subunit beta-1 (EC 4.6.1.2)protein57640% helix, 21% strandQ02153

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains B

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

Pockets

12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16440.820.8662HEM
210500.810.82104empty
31430.800.9729empty
44390.770.8638empty
5730.750.9825empty

Interfaces

1 interface between chains.

  • A–B · 5344 Ų buried · 24 hydrogen bonds · protein-protein

Compared structures

  • 6JT1 · Structure of human soluble guanylate cyclase in the heme oxidised state · the same entry in another collection · chain A against A, TM-score 1.00
  • Q02108 · AlphaFold monomer V2.0 prediction for guanylate cyclase soluble subunit alpha-1 (Q02108) · a predicted model of the same protein · chain A against A, TM-score 0.54
  • Q02153 · AlphaFold monomer V2.0 prediction for guanylate cyclase soluble subunit beta-1 (Q02153) · a predicted model of the same protein · chain B against A, TM-score 0.45

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