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MolNFT v1 · #48968 · protein

Structure of FTSY:GMPPNP complex

2Q9B · Cell division protein ftsy: “Structure of FTSY:GMPPNP complex”. X-ray diffraction, 2 ligands (GNP, SO4), 12 pockets (best druggability 0.76). MolNFT v1 #48968 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2Q9B
Type
protein
Length
590 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cell division protein ftsy
UniProt
P83749
Ligands
GNP, SO4
Pockets
12 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 51% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACell division protein ftsyprotein30352% helix, 12% strandP83749
BCell division protein ftsyprotein28750% helix, 12% strandP83749

Ligands and binding sites

  • GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
  • SO4 · Sulfate ion · ion · 8 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 9 copies · chains A, 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, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15610.760.8347SO4
24980.690.8050SO4, EDO
31790.690.8728empty
42000.540.7933GNP
5700.500.8514empty

Interfaces

1 interface between chains.

  • A–B · 1089 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 2Q9B · Structure of FTSY:GMPPNP Complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P83749 · AlphaFold monomer V2.0 prediction for signal recognition particle receptor ftsy (P83749) · a predicted model of the same protein · chain B against A, TM-score 0.97

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