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MolNFT v1 · #47274 · protein

N-terminal fragment of streptococcus pyogenes M1 protein

2OTO · M protein: “N-terminal fragment of streptococcus pyogenes M1 protein”. X-ray diffraction, 3 pockets (best druggability 0.81). MolNFT v1 #47274 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2OTO
Type
protein
Length
548 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
M protein
UniProt
Q48WD8
Pockets
3 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 97% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AM proteinprotein13797% helix, 0% strandQ48WD8
B, CM proteinprotein13896% helix, 0% strandQ48WD8
DM proteinprotein13596% helix, 0% strandQ48WD8

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111390.810.8283empty
2710.370.7817empty
3530.290.7511empty

Interfaces

6 interfaces between chains.

  • A–B · 2338 Ų buried · 16 hydrogen bonds · protein-protein
  • C–D · 2198 Ų buried · 22 hydrogen bonds · protein-protein
  • A–D · 1653 Ų buried · 14 hydrogen bonds · protein-protein
  • B–C · 1500 Ų buried · 18 hydrogen bonds · protein-protein
  • B–D · 492 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 2OTO · N-terminal fragment of Streptococcus pyogenes M1 protein · the same entry in another collection · chain A against A, TM-score 1.00

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