MolNFT v1 · #107307 · protein
Vaccinia L1/M12B9-Fab complex
4U6H · Heavy chain of murine anti-vaccinia L1 IGG2A antibody M12B9: “Vaccinia L1/M12B9-Fab complex”. X-ray diffraction, 16 pockets (best druggability 0.79). MolNFT v1 #107307 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4U6H
- Type
- protein
- Length
- 1,203 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heavy chain of murine anti-vaccinia L1 IGG2A antibody M12B9; Light chain of murine…
- UniProt
- P07612
- Pockets
- 16 · best druggability 0.79
Structure
x-ray diffraction · 6 distinct chains · 17% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heavy chain of murine anti-vaccinia L1 IGG2A antibody M12B9 | protein | 217 | 4% helix, 47% strand | — |
| B | Light chain of murine anti-vaccinia L1 IGG2A antibody M12B9 | protein | 217 | 5% helix, 53% strand | — |
| C | Heavy chain of murine anti-vaccinia L1 IGG2A antibody M12B9 | protein | 217 | 6% helix, 50% strand | — |
| D | Light chain of murine anti-vaccinia L1 IGG2A antibody M12B9 | protein | 218 | 4% helix, 50% strand | — |
| E | Protein L1 | protein | 166 | 49% helix, 22% strand | P07612 |
| J | Protein L1 | protein | 168 | 49% helix, 22% strand | P07612 |
Pockets
16 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1010 | 0.79 | 0.81 | 85 | empty |
| 2 | 207 | 0.76 | 0.90 | 26 | empty |
| 3 | 201 | 0.76 | 0.90 | 25 | empty |
| 4 | 965 | 0.69 | 0.74 | 73 | empty |
| 5 | 297 | 0.50 | 0.73 | 43 | empty |
Interfaces
11 interfaces between chains.
- C–D · 1977 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1811 Ų buried · 14 hydrogen bonds · protein-protein
- A–E · 840 Ų buried · 18 hydrogen bonds · protein-protein
- C–J · 810 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 315 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 14 disulfide (disulfide).
Compared structures
- 4U6H · Vaccinia L1/M12B9-Fab 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
- Every structure of UniProt P07612
- Elsewhere: RCSB PDB 4U6H · PDBe 4U6H · UniProt P07612
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