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MolNFT v1 · #40070 · protein

Core structure of S2 from the human coronavirus NL63 spike glycoprotein

2IEQ: “Core structure of S2 from the human coronavirus NL63 spike glycoprotein”. X-ray diffraction, 1 ligand (NA). MolNFT v1 #40070 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2IEQ
Type
protein
Length
265 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Spike glycoprotein
UniProt
Q6Q1S2
Ligands
NA

Structure

x-ray diffraction · 3 distinct chains · 89% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASpike glycoproteinprotein8888% helix, 0% strandQ6Q1S2
BSpike glycoproteinprotein8990% helix, 0% strandQ6Q1S2
CSpike glycoproteinprotein8891% helix, 0% strandQ6Q1S2

Ligands and binding sites

  • NA · Sodium ion · metal · 3 copies · chains A, C, B
  • ACT · Acetate ion · additive · chains B

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

Interfaces

3 interfaces between chains.

  • A–B · 1410 Ų buried · 11 hydrogen bonds · protein-protein
  • B–C · 1397 Ų buried · 10 hydrogen bonds · protein-protein
  • A–C · 1374 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 2IEQ · Core Structure of S2 from the Human Coronavirus NL63 Spike Glycoprotein · the same entry in another collection · chain A against A, TM-score 1.00

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