MolNFT v1 · #31037 · protein
Crystal structure of SARS-cov super complex of non-structural proteins: the hexadecamer
2AHM · Replicase polyprotein 1AB, light chain: “Crystal structure of SARS-cov super complex of non-structural proteins: the hexadecamer”. X-ray diffraction, 1 ligand (SO4), 15 pockets (best druggability 0.75). MolNFT v1 #31037 on…
- PDB
- 2AHM
- Type
- protein
- Length
- 984 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Replicase polyprotein 1AB, light chain; Replicase polyprotein 1AB, heavy chain
- UniProt
- P59641
- Ligands
- SO4
- Pockets
- 15 · best druggability 0.75
Structure
x-ray diffraction · 8 distinct chains · 58% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Replicase polyprotein 1AB, light chain | protein | 77 | 77% helix, 0% strand | P59641 |
| B | Replicase polyprotein 1AB, light chain | protein | 77 | 83% helix, 0% strand | P59641 |
| C | Replicase polyprotein 1AB, light chain | protein | 74 | 80% helix, 0% strand | P59641 |
| D | Replicase polyprotein 1AB, light chain | protein | 76 | 72% helix, 0% strand | P59641 |
| E | Replicase polyprotein 1AB, heavy chain | protein | 155 | 39% helix, 20% strand | P59641 |
| F | Replicase polyprotein 1AB, heavy chain | protein | 143 | 41% helix, 22% strand | P59641 |
| G | Replicase polyprotein 1AB, heavy chain | protein | 191 | 57% helix, 15% strand | P59641 |
| H | Replicase polyprotein 1AB, heavy chain | protein | 191 | 57% helix, 16% strand | P59641 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1005 | 0.75 | 0.77 | 84 | empty |
| 2 | 514 | 0.71 | 0.81 | 42 | empty |
| 3 | 82 | 0.63 | 0.91 | 19 | empty |
| 4 | 320 | 0.60 | 0.78 | 34 | empty |
| 5 | 251 | 0.53 | 0.76 | 32 | empty |
Interfaces
16 interfaces between chains.
- B–F · 1472 Ų buried · 12 hydrogen bonds · protein-protein
- A–E · 1467 Ų buried · 9 hydrogen bonds · protein-protein
- C–G · 1456 Ų buried · 8 hydrogen bonds · protein-protein
- D–H · 1422 Ų buried · 5 hydrogen bonds · protein-protein
- G–H · 675 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2AHM · Crystal structure of SARS-CoV super complex of non-structural proteins: the hexadecamer · the same entry in another collection · chain A against A, 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 P59641
- Elsewhere: RCSB PDB 2AHM · PDBe 2AHM · UniProt P59641
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