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MolNFT v1 · #189633 · protein

Crystal structure of SARS-cov-2 rbd in complex with ARBD5

7VOA · Alpaca nanobody: “Crystal structure of SARS-cov-2 rbd in complex with ARBD5”. X-ray diffraction, 1 ligand (NAG), 1 pocket (best druggability 0.39). MolNFT v1 #189633 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7VOA
Type
protein
Length
324 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alpaca nanobody; Spike glycoprotein
UniProt
P0DTC2
Ligands
NAG
Pockets
1 · best druggability 0.39

Structure

x-ray diffraction · 2 distinct chains · 13% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAlpaca nanobodyprotein1285% helix, 51% strand—
BSpike glycoproteinprotein19619% helix, 29% strandP0DTC2

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains B

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
11050.390.7622empty

Interfaces

1 interface between chains.

  • A–B · 735 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 7VOA · Crystal structure of SARS-CoV-2 RBD in complex with aRBD5 · the same entry in another collection · chain A against A, TM-score 1.00

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