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MolNFT v1 · #174849 · protein

Cryo-EM structure of cat ACE2 and SARS-cov-2 rbd

7C8D · Angiotensin-converting enzyme 2: “Cryo-EM structure of cat ACE2 and SARS-cov-2 rbd”. Electron microscopy, 1 ligand (ZN), 5 pockets (best druggability 0.70). MolNFT v1 #174849 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7C8D
Type
protein
Length
792 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Angiotensin-converting enzyme 2; Spike protein S1
EC
3.4.17.23
UniProt
Q56H28, P0DTC2
Ligands
ZN
Pockets
5 · best druggability 0.70

Structure

electron microscopy · 2 distinct chains · 46% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAngiotensin-converting enzyme 2 (EC 3.4.17.23)protein59758% helix, 3% strandQ56H28
BSpike protein S1protein19510% helix, 28% strandP0DTC2

Ligands and binding sites

  • ZN · Zinc ion · metal · chains A

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19030.700.7576empty
25690.670.7759empty
33500.570.7643empty
4540.470.8519empty
5520.330.7815empty

Interfaces

1 interface between chains.

  • A–B · 1018 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

  • 7C8D · Cryo-EM structure of cat ACE2 and SARS-CoV-2 RBD · the same entry in another collection · chain A against A, TM-score 1.00
  • Q56H28 · AlphaFold monomer V2.0 prediction for angiotensin-converting enzyme 2 (Q56H28) · a predicted model of the same protein · chain A against A, TM-score 0.95

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