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MolNFT v1 · #118201 · protein

Hypothetical protein SF216 from shigella flexneri 5A M90T

5EUR · Uncharacterized protein: “Hypothetical protein SF216 from shigella flexneri 5A M90T”. X-ray diffraction, 2 ligands (MG, SO4), 4 pockets (best druggability 0.74). MolNFT v1 #118201 on GenesisL1: 3D structure, binding sites and…

PDB
5EUR
Type
protein
Length
334 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein
UniProt
A0A0F6M9P9
Ligands
MG, SO4
Pockets
4 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 57% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized proteinprotein11359% helix, 10% strandA0A0F6M9P9
BUncharacterized proteinprotein11157% helix, 10% strandA0A0F6M9P9
CUncharacterized proteinprotein11054% helix, 10% strandA0A0F6M9P9

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A, B, C
  • SO4 · Sulfate ion · ion · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1600.740.9915MG, SO4
2930.390.7719empty
31010.370.7519empty
4720.330.7517empty

Interfaces

3 interfaces between chains.

  • A–C · 1049 Ų buried · 15 hydrogen bonds · protein-protein
  • A–B · 1013 Ų buried · 16 hydrogen bonds · protein-protein
  • B–C · 1004 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 5EUR · Hypothetical protein SF216 from shigella flexneri 5a M90T · the same entry in another collection · chain A against A, TM-score 1.00

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