MolNFT v1 · #44605 · protein
Refined crystal structure of the MC/PC603 Fab-phosphocholine complex at 3.1 ångströms resolution
2MCP · IgA-kappa MCPC603 Fab (light chain): “Refined crystal structure of the MC/PC603 Fab-phosphocholine complex at 3.1 ångströms resolution”. X-ray diffraction, 1 ligand (PC), 5 pockets (best druggability 0.62). MolNFT v1 #44605 on…
- PDB
- 2MCP
- Type
- protein
- Length
- 442 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- IgA-kappa MCPC603 Fab (light chain); IgA-kappa MCPC603 Fab (heavy chain)
- UniProt
- P01789
- Ligands
- PC
- Pockets
- 5 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | IgA-kappa MCPC603 Fab (light chain) | protein | 220 | 4% helix, 48% strand | — |
| H | IgA-kappa MCPC603 Fab (heavy chain) | protein | 222 | 4% helix, 51% strand | P01789 |
Ligands and binding sites
- PC · Phosphocholine · ligand · chains L, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 642 | 0.62 | 0.74 | 70 | empty |
| 2 | 74 | 0.34 | 0.76 | 16 | empty |
| 3 | 71 | 0.29 | 0.73 | 20 | empty |
| 4 | 51 | 0.27 | 0.75 | 19 | empty |
| 5 | 50 | 0.26 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- L–H · 1862 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 2MCP · Refined crystal structure of the MC/PC603 Fab-phosphocholine complex at 3.1 ångströms… · the same entry in another collection · chain L against L, TM-score 1.00
- P01789 · AlphaFold monomer V2.0 prediction for ig heavy chain V region M603 (P01789) · a predicted model of the same protein · chain H against A, TM-score 0.54
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 P01789
- Elsewhere: RCSB PDB 2MCP · PDBe 2MCP · UniProt P01789
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