MolNFT v1 · #144862 · protein
Crystal structure of middle-east respiratory syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque.
6C6X · JC57-14 heavy chain: “Crystal structure of middle-east respiratory syndrome (MERS) coronavirus neutralizing antibody JC57-14…”. X-ray diffraction, 19 pockets (best druggability 0.79). MolNFT v1 #144862 on GenesisL1: 3D structure…
- PDB
- 6C6X
- Type
- protein
- Length
- 1,710 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- JC57-14 heavy chain; JC57-14 light chain
- Pockets
- 19 · best druggability 0.79
Structure
x-ray diffraction · 6 distinct chains · 7% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | JC57-14 heavy chain | protein | 212 | 7% helix, 51% strand | — |
| B | JC57-14 light chain | protein | 213 | 6% helix, 51% strand | — |
| C | JC57-14 heavy chain | protein | 213 | 8% helix, 51% strand | — |
| D, F, L | JC57-14 light chain | protein | 214 | 5% helix, 52% strand | — |
| E | JC57-14 heavy chain | protein | 215 | 7% helix, 52% strand | — |
| H | JC57-14 heavy chain | protein | 215 | 8% helix, 51% strand | — |
Pockets
19 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 608 | 0.79 | 0.85 | 90 | empty |
| 2 | 1050 | 0.74 | 0.77 | 108 | empty |
| 3 | 654 | 0.66 | 0.76 | 68 | empty |
| 4 | 469 | 0.64 | 0.77 | 48 | empty |
| 5 | 390 | 0.63 | 0.78 | 50 | empty |
Interfaces
12 interfaces between chains.
- H–L · 1678 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 1672 Ų buried · 13 hydrogen bonds · protein-protein
- E–F · 1650 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 1605 Ų buried · 15 hydrogen bonds · protein-protein
- C–E · 619 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 6C6X · Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing… · 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
- Elsewhere: RCSB PDB 6C6X · PDBe 6C6X
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