MolNFT v1 · #188608 · protein
Crystal structure of broadly neutralizing antibody HEPC3.4
7U0C · HEPC3.4 Fab heavy chain: “Crystal structure of broadly neutralizing antibody HEPC3.4”. X-ray diffraction, 16 pockets (best druggability 0.74). MolNFT v1 #188608 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7U0C
- Type
- protein
- Length
- 1,239 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HEPC3.4 Fab heavy chain; HEPC3.4 Fab light chain
- Pockets
- 16 · best druggability 0.74
Structure
x-ray diffraction · 6 distinct chains · 6% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HEPC3.4 Fab heavy chain | protein | 219 | 4% helix, 51% strand | — |
| B | HEPC3.4 Fab light chain | protein | 203 | 6% helix, 42% strand | — |
| C | HEPC3.4 Fab heavy chain | protein | 210 | 4% helix, 56% strand | — |
| D | HEPC3.4 Fab light chain | protein | 203 | 7% helix, 45% strand | — |
| H | HEPC3.4 Fab heavy chain | protein | 210 | 6% helix, 48% strand | — |
| L | HEPC3.4 Fab light chain | protein | 194 | 6% helix, 42% strand | — |
Pockets
16 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 748 | 0.74 | 0.80 | 109 | empty |
| 2 | 265 | 0.67 | 0.83 | 35 | empty |
| 3 | 290 | 0.52 | 0.75 | 46 | empty |
| 4 | 155 | 0.50 | 0.78 | 21 | empty |
| 5 | 252 | 0.49 | 0.74 | 41 | empty |
Interfaces
8 interfaces between chains.
- C–D · 1871 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1759 Ų buried · 17 hydrogen bonds · protein-protein
- H–L · 1655 Ų buried · 10 hydrogen bonds · protein-protein
- D–L · 1174 Ų buried · 19 hydrogen bonds · protein-protein
- B–L · 282 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 disulfide (disulfide).
Compared structures
- 7U0C · Crystal structure of broadly neutralizing antibody HEPC3.4 · 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 7U0C · PDBe 7U0C
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