MolNFT v1 · #59585 · protein
Antibody Fab fragment 447-52D in complex with UG1033 peptide
3C2A · Fab 447-52D light chain: “Antibody Fab fragment 447-52D in complex with UG1033 peptide”. X-ray diffraction, 12 pockets (best druggability 0.76). MolNFT v1 #59585 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3C2A
- Type
- protein
- Length
- 920 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fab 447-52D light chain; Fab 447-52D heavy chain; Envelope glycoprotein
- UniProt
- Q9YWB6
- Pockets
- 12 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 9% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L, M | Fab 447-52D light chain | protein | 216 | 10% helix, 49% strand | — |
| H, I | Fab 447-52D heavy chain | protein | 231 | 9% helix, 53% strand | — |
| P, Q | Envelope glycoprotein | protein | 13 | 0% helix, 38% strand | Q9YWB6 |
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 103 | 0.76 | 0.96 | 28 | empty |
| 2 | 689 | 0.65 | 0.74 | 86 | empty |
| 3 | 383 | 0.58 | 0.75 | 49 | empty |
| 4 | 228 | 0.51 | 0.76 | 29 | empty |
| 5 | 183 | 0.50 | 0.77 | 28 | empty |
Interfaces
10 interfaces between chains.
- M–I · 1839 Ų buried · 14 hydrogen bonds · protein-protein
- L–H · 1816 Ų buried · 15 hydrogen bonds · protein-protein
- I–Q · 543 Ų buried · 8 hydrogen bonds · protein-protein
- H–I · 528 Ų buried · 11 hydrogen bonds · protein-protein
- H–P · 491 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 3C2A · Antibody Fab fragment 447-52D in complex with UG1033 peptide · the same entry in another collection · chain L against L, 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 Q9YWB6
- Elsewhere: RCSB PDB 3C2A · PDBe 3C2A · UniProt Q9YWB6
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