MolNFT v1 · #84988 · protein
Crystallographic structure of the esterolytic and amidolytic 43C9 antibody
43C9 · Protein (immunoglobulin (light chain)): “Crystallographic structure of the esterolytic and amidolytic 43C9 antibody”. X-ray diffraction, 12 pockets (best druggability 0.54). MolNFT v1 #84988 on GenesisL1: 3D structure, binding sites…
- PDB
- 43C9
- Type
- protein
- Length
- 924 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (immunoglobulin (light chain)); Protein (immunoglobulin (heavy chain))
- UniProt
- Q9ERZ9, P01820
- Pockets
- 12 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G | Protein (immunoglobulin (light chain)) | protein | 113 | 3% helix, 51% strand | Q9ERZ9 |
| B, D, F, H | Protein (immunoglobulin (heavy chain)) | protein | 118 | 8% helix, 53% strand | P01820 |
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 | 128 | 0.54 | 0.81 | 24 | empty |
| 2 | 109 | 0.53 | 0.82 | 20 | empty |
| 3 | 129 | 0.53 | 0.81 | 23 | empty |
| 4 | 171 | 0.53 | 0.79 | 34 | empty |
| 5 | 109 | 0.53 | 0.82 | 18 | empty |
Interfaces
7 interfaces between chains.
- G–H · 852 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 841 Ų buried · 11 hydrogen bonds · protein-protein
- E–F · 837 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 823 Ų buried · 11 hydrogen bonds · protein-protein
- D–F · 587 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 43C9 · Crystallographic structure of the esterolytic and amidolytic 43C9 antibody · the same entry in another collection · chain H against H, TM-score 1.00
- P01820 · AlphaFold monomer V2.0 prediction for ig heavy chain V region PJ14 (P01820) · a predicted model of the same protein · chain B against A, TM-score 0.78
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 Q9ERZ9
- Every structure of UniProt P01820
- Elsewhere: RCSB PDB 43C9 · PDBe 43C9 · UniProt Q9ERZ9 · UniProt P01820
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