MolNFT v1 · #178320 · protein
Crystal structure of SARS-cov rbd and horse ACE2
7FC6 · Angiotensin-converting enzyme: “Crystal structure of SARS-cov rbd and horse ACE2”. X-ray diffraction, 1 ligand (NAG), 7 pockets (best druggability 0.83). MolNFT v1 #178320 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7FC6
- Type
- protein
- Length
- 789 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Angiotensin-converting enzyme; Spike protein S1
- EC
- 3.4.-.-
- UniProt
- F6V9L3, P59594
- Ligands
- NAG
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Angiotensin-converting enzyme (EC 3.4.-.-) | protein | 597 | 63% helix, 5% strand | F6V9L3 |
| S | Spike protein S1 | protein | 192 | 17% helix, 30% strand | P59594 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, S
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 518 | 0.83 | 0.90 | 63 | empty |
| 2 | 121 | 0.59 | 0.85 | 18 | empty |
| 3 | 169 | 0.57 | 0.81 | 24 | empty |
| 4 | 97 | 0.56 | 0.85 | 21 | empty |
| 5 | 59 | 0.32 | 0.76 | 20 | empty |
Interfaces
1 interface between chains.
- A–S · 888 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 7FC6 · Crystal structure of SARS-CoV RBD and horse ACE2 · the same entry in another collection · chain S against S, TM-score 1.00
- 3SCJ · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain S against E, TM-score 0.89
- 3SCJ · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain S against E, TM-score 0.89
- 3SCI · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain S against E, TM-score 0.88
- 3SCI · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain S against E, TM-score 0.88
- 3SCK · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain S against E, TM-score 0.88
- 3SCK · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain S against E, TM-score 0.88
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 F6V9L3
- Every structure of UniProt P59594
- Elsewhere: RCSB PDB 7FC6 · PDBe 7FC6 · UniProt F6V9L3 · UniProt P59594
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