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MolNFT v1 · #153871 · protein

Structure of human soluble guanylate cyclase in the no activated state

6JT2 · Guanylate cyclase soluble subunit alpha-1: “Structure of human soluble guanylate cyclase in the no activated state”. Electron microscopy, 3 ligands (G2P, HEM, MG), 14 pockets (best druggability 0.86). MolNFT v1 #153871 on GenesisL1…

PDB
6JT2
Type
protein
Length
1,075 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
G2P, HEM, MG
Pockets
14 · best druggability 0.86

Structure

electron microscopy · 2 distinct chains · 44% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGuanylate cyclase soluble subunit alpha-1 (EC 4.6.1.2)protein50645% helix, 18% strandQ02108
BGuanylate cyclase soluble subunit beta-1 (EC 4.6.1.2)protein56943% helix, 21% strandQ02153

Ligands and binding sites

  • G2P · Phosphomethylphosphonic acid guanylate ester · ligand · chains A, B
  • HEM · Protoporphyrin IX containing Fe · ligand · chains B
  • MG · Magnesium ion · metal · 2 copies · chains A

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

Pockets

14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14180.860.9338HEM
27420.780.8266G2P, MG
3840.720.9523empty
43120.640.8039empty
5500.590.9114empty

Interfaces

1 interface between chains.

  • A–B · 6140 Ų buried · 34 hydrogen bonds · protein-protein

Compared structures

  • 6JT2 · Structure of human soluble guanylate cyclase in the NO activated state · the same entry in another collection · chain A against A, TM-score 1.00
  • 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 0.76
  • 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 0.66

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