MolNFT v1 · #138970 · protein
Crystal structure of CD147 C2 domain in complex with Fab of its monoclonal antibody 6H8
5X0T · 6H8 Fab fragment heavy chain: “Crystal structure of CD147 C2 domain in complex with Fab of its monoclonal antibody 6H8”. X-ray diffraction, 15 pockets (best druggability 0.73). MolNFT v1 #138970 on GenesisL1: 3D structure, binding…
- PDB
- 5X0T
- Type
- protein
- Length
- 1,012 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 6H8 Fab fragment heavy chain; 6H8 Fab fragment light chain; Basigin
- UniProt
- P35613
- Pockets
- 15 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | 6H8 Fab fragment heavy chain | protein | 215 | 10% helix, 51% strand | — |
| B, D | 6H8 Fab fragment light chain | protein | 213 | 7% helix, 53% strand | — |
| E, F | Basigin | protein | 78 | 0% helix, 63% strand | P35613 |
Pockets
15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 430 | 0.73 | 0.83 | 50 | empty |
| 2 | 391 | 0.71 | 0.82 | 42 | empty |
| 3 | 765 | 0.66 | 0.75 | 70 | empty |
| 4 | 459 | 0.63 | 0.77 | 58 | empty |
| 5 | 388 | 0.60 | 0.76 | 55 | empty |
Interfaces
8 interfaces between chains.
- A–B · 1861 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 1834 Ų buried · 14 hydrogen bonds · protein-protein
- A–E · 448 Ų buried · 6 hydrogen bonds · protein-protein
- C–F · 444 Ų buried · 6 hydrogen bonds · protein-protein
- D–F · 311 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 5X0T · Crystal structure of CD147 C2 domain in complex with Fab of its monoclonal antibody 6H8 · the same entry in another collection · chain F against F, TM-score 1.00
- P35613 · AlphaFold monomer V2.0 prediction for basigin (P35613) · a predicted model of the same protein · chain F against A, TM-score 0.97
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 P35613
- Elsewhere: RCSB PDB 5X0T · PDBe 5X0T · UniProt P35613
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