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MolNFT v1 · #175625 · protein

SARS-cov-2 spike protein rbd and P17 Fab complex

7CWO · Spike glycoprotein: “SARS-cov-2 spike protein rbd and P17 Fab complex”. Electron microscopy, 2 pockets (best druggability 0.57). MolNFT v1 #175625 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7CWO
Type
protein
Length
422 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Spike glycoprotein; Heavy chain of P17 Fab; Light chain of P17 Fab
UniProt
P0DTC2
Pockets
2 · best druggability 0.57

Structure

electron microscopy · 3 distinct chains · 8% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASpike glycoproteinprotein19413% helix, 22% strandP0DTC2
HHeavy chain of P17 Fabprotein1205% helix, 45% strand—
LLight chain of P17 Fabprotein1080% helix, 54% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12780.570.7739empty
2780.320.7419empty

Interfaces

3 interfaces between chains.

  • H–L · 874 Ų buried · 8 hydrogen bonds · protein-protein
  • A–H · 699 Ų buried · 5 hydrogen bonds · protein-protein
  • A–L · 269 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 7CWO · SARS-CoV-2 spike protein RBD and P17 fab complex · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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