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MolNFT v1 · #171271 · protein

H11-D4 complex with SARS-cov-2 rbd

6YZ5 · Spike glycoprotein: “H11-D4 complex with SARS-cov-2 rbd”. X-ray diffraction, 1 ligand (NAG), 1 pocket (best druggability 0.46). MolNFT v1 #171271 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6YZ5
Type
protein
Length
322 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Spike glycoprotein; Nanobody H11-D4
UniProt
P0DTC2
Ligands
NAG
Pockets
1 · best druggability 0.46

Structure

x-ray diffraction · 2 distinct chains · 14% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ESpike glycoproteinprotein19517% helix, 30% strandP0DTC2
FNanobody H11-D4protein1279% helix, 47% strand—

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains E
  • EDO · 1,2-ethanediol · additive · 12 copies · chains E, F
  • ACT · Acetate ion · additive · 4 copies · chains E, F

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11660.460.7632EDO

Interfaces

1 interface between chains.

  • E–F · 690 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 6YZ5 · H11-D4 complex with SARS-CoV-2 RBD · the same entry in another collection · chain E against E, TM-score 1.00

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