MolNFT v1 · #160893 · protein
Crystal structure of MERS-cov neutralizing antibody G2 Fab
6PXG · G2 Fab heavy chain: “Crystal structure of MERS-cov neutralizing antibody G2 Fab”. X-ray diffraction, 20 pockets (best druggability 0.66). MolNFT v1 #160893 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6PXG
- Type
- protein
- Length
- 1,705 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- G2 Fab heavy chain; G2 Fab light chain
- Pockets
- 20 · best druggability 0.66
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E, H | G2 Fab heavy chain | protein | 210 | 10% helix, 57% strand | — |
| B, D, F, L | G2 Fab light chain | protein | 216 | 6% helix, 56% strand | — |
| C | G2 Fab heavy chain | protein | 211 | 6% helix, 56% strand | — |
Pockets
20 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 403 | 0.66 | 0.80 | 47 | empty |
| 2 | 375 | 0.66 | 0.80 | 49 | empty |
| 3 | 294 | 0.54 | 0.75 | 41 | empty |
| 4 | 350 | 0.54 | 0.74 | 50 | empty |
| 5 | 252 | 0.50 | 0.75 | 34 | empty |
Interfaces
14 interfaces between chains.
- E–F · 1694 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 1682 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1668 Ų buried · 15 hydrogen bonds · protein-protein
- H–L · 1646 Ų buried · 13 hydrogen bonds · protein-protein
- C–F · 421 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 disulfide (disulfide).
Compared structures
- 6PXG · Crystal Structure of MERS-CoV neutralizing antibody G2 Fab · 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 6PXG · PDBe 6PXG
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