MolNFT v1 · #165849 · protein
Crystal structure of an engineered ultra-high affinity Fab-protein G complex
6U8C: “Crystal structure of an engineered ultra-high affinity Fab-protein G complex”. X-ray diffraction, 16 pockets (best druggability 0.77). MolNFT v1 #165849 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6U8C
- Type
- protein
- Length
- 945 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein G; Antibody light chain Fab; Antibody heavy chain Fab
- Pockets
- 16 · best druggability 0.77
Structure
x-ray diffraction · 6 distinct chains · 8% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein G | protein | 57 | 26% helix, 47% strand | — |
| B | Protein G | protein | 58 | 22% helix, 47% strand | — |
| C | Antibody light chain Fab | protein | 203 | 5% helix, 48% strand | — |
| D | Antibody heavy chain Fab | protein | 212 | 4% helix, 53% strand | — |
| L | Antibody light chain Fab | protein | 202 | 5% helix, 50% strand | — |
| H | Antibody heavy chain Fab | protein | 213 | 7% helix, 53% strand | — |
Pockets
16 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 948 | 0.77 | 0.80 | 101 | empty |
| 2 | 483 | 0.70 | 0.81 | 69 | empty |
| 3 | 411 | 0.65 | 0.79 | 49 | empty |
| 4 | 368 | 0.65 | 0.79 | 38 | empty |
| 5 | 171 | 0.45 | 0.74 | 34 | empty |
Interfaces
10 interfaces between chains.
- L–H · 1768 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 1666 Ų buried · 15 hydrogen bonds · protein-protein
- C–L · 1273 Ų buried · 19 hydrogen bonds · protein-protein
- A–H · 579 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 548 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 6U8C · Crystal structure of an engineered ultra-high affinity Fab-Protein G complex · 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 6U8C · PDBe 6U8C
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