GL1X · GenesisL1 explorer

MolNFT v1 · #16422 · protein

Crystal structure of osmc from E. COLI

1NYE · Osmotically inducible protein C: “Crystal structure of osmc from E. COLI”. X-ray diffraction, 9 pockets (best druggability 0.53). MolNFT v1 #16422 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1NYE
Type
protein
Length
910 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Osmotically inducible protein C
UniProt
P0C0L2
Pockets
9 · best druggability 0.53

Structure

x-ray diffraction · 5 distinct chains · 30% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BOsmotically inducible protein Cprotein14332% helix, 39% strandP0C0L2
COsmotically inducible protein Cprotein15330% helix, 37% strandP0C0L2
DOsmotically inducible protein Cprotein16229% helix, 34% strandP0C0L2
EOsmotically inducible protein Cprotein15130% helix, 36% strandP0C0L2
FOsmotically inducible protein Cprotein15828% helix, 39% strandP0C0L2

Pockets

9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11990.530.7725empty
22140.500.7627empty
31820.500.7722empty
41710.500.7723empty
52500.500.7430empty

Interfaces

10 interfaces between chains.

  • C–D · 3360 Ų buried · 62 hydrogen bonds · protein-protein
  • E–F · 3283 Ų buried · 57 hydrogen bonds · protein-protein
  • A–B · 3277 Ų buried · 58 hydrogen bonds · protein-protein
  • B–F · 890 Ų buried · 11 hydrogen bonds · protein-protein
  • A–D · 834 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 1NYE · Crystal structure of OsmC from E. coli · the same entry in another collection · chain F against F, TM-score 1.00
  • P0C0L2 · AlphaFold monomer V2.0 prediction for peroxiredoxin osmc (P0C0L2) · a predicted model of the same protein · chain A against A, TM-score 0.99

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