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MolNFT v1 · #177867 · protein

Toxin protein from staphylococcus aureus

7EWI · Endoribonuclease mazf: “Toxin protein from staphylococcus aureus”. X-ray diffraction, 1 ligand (PO4), 4 pockets (best druggability 0.55). MolNFT v1 #177867 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7EWI
Type
protein
Length
446 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endoribonuclease mazf
UniProt
L7PFJ6
Ligands
PO4
Pockets
4 · best druggability 0.55

Structure

x-ray diffraction · 3 distinct chains · 19% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, DEndoribonuclease mazfprotein11120% helix, 34% strandL7PFJ6
BEndoribonuclease mazfprotein10920% helix, 35% strandL7PFJ6
AEndoribonuclease mazfprotein11517% helix, 33% strandL7PFJ6

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 4 copies · chains C, B, A, D
  • GOL · Glycerol · additive · chains C, A

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
12160.550.7830empty
21130.380.7422empty
3630.340.7713empty
4640.320.7513GOL

Interfaces

3 interfaces between chains.

  • B–D · 1773 Ų buried · 35 hydrogen bonds · protein-protein
  • C–A · 1765 Ų buried · 34 hydrogen bonds · protein-protein
  • C–B · 309 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 7EWI · Toxin protein from Staphylococcus aureus · the same entry in another collection · chain C against C, TM-score 1.00

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