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MolNFT v1 · #139117 · protein

Prefusion structure of MERS-cov spike glycoprotein, conformation 2

5X5F · S protein: “Prefusion structure of MERS-cov spike glycoprotein, conformation 2”. Electron microscopy, 20 pockets (best druggability 0.79). MolNFT v1 #139117 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5X5F
Type
protein
Length
3,423 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
S protein
UniProt
W6A028
Pockets
20 · best druggability 0.79

Structure

electron microscopy · 1 distinct chain · 20% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CS proteinprotein114120% helix, 22% strandW6A028

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14980.790.8651empty
25790.790.8553empty
31970.790.9352empty
42800.770.8937empty
56060.760.8252empty

Interfaces

3 interfaces between chains.

  • B–C · 5603 Ų buried · 74 hydrogen bonds · protein-protein
  • A–B · 5571 Ų buried · 67 hydrogen bonds · protein-protein
  • A–C · 4497 Ų buried · 55 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 34 disulfide (disulfide).

Compared structures

  • 5X5F · Prefusion structure of MERS-CoV spike glycoprotein, conformation 2 · the same entry in another collection · chain A against A, TM-score 1.00

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