MolNFT v1 · #178319 · protein
Crystal structure of SARS-cov-2 rbd and horse ACE2
7FC5 · Spike protein S1: “Crystal structure of SARS-cov-2 rbd and horse ACE2”. X-ray diffraction, 1 ligand (NAG), 6 pockets (best druggability 0.69). MolNFT v1 #178319 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7FC5
- Type
- protein
- Length
- 791 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spike protein S1; Angiotensin-converting enzyme
- EC
- 3.4.-.-
- UniProt
- P0DTC2, F6V9L3
- Ligands
- NAG
- Pockets
- 6 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Spike protein S1 | protein | 195 | 15% helix, 30% strand | P0DTC2 |
| A | Angiotensin-converting enzyme (EC 3.4.-.-) | protein | 596 | 62% helix, 4% strand | F6V9L3 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains E, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 840 | 0.69 | 0.75 | 71 | empty |
| 2 | 456 | 0.65 | 0.78 | 40 | empty |
| 3 | 367 | 0.63 | 0.78 | 39 | empty |
| 4 | 62 | 0.37 | 0.78 | 15 | empty |
| 5 | 115 | 0.37 | 0.74 | 26 | empty |
Interfaces
1 interface between chains.
- E–A · 842 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide, 5 glycan (disulfide, N-glycosylation).
Compared structures
- 7FC5 · Crystal structure of SARS-CoV-2 RBD and horse ACE2 · the same entry in another collection · chain E against E, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P0DTC2
- Every structure of UniProt F6V9L3
- Elsewhere: RCSB PDB 7FC5 · PDBe 7FC5 · UniProt P0DTC2 · UniProt F6V9L3
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