MolNFT v1 · #91317 · protein
Crystal structure of the human BTN3A1 ectodomain in complex with the 103.2 single chain antibody
4F9P · Butyrophilin subfamily 3 member A1: “Crystal structure of the human BTN3A1 ectodomain in complex with the 103.2 single chain antibody”. X-ray diffraction, 15 pockets (best druggability 0.76). MolNFT v1 #91317 on GenesisL1: 3D…
- PDB
- 4F9P
- Type
- protein
- Length
- 859 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Butyrophilin subfamily 3 member A1; 103.2 anti-BTN3A1 antibody fragment
- UniProt
- O00481
- Pockets
- 15 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 3% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Butyrophilin subfamily 3 member A1 | protein | 207 | 3% helix, 51% strand | O00481 |
| B | Butyrophilin subfamily 3 member A1 | protein | 208 | 3% helix, 51% strand | O00481 |
| D | 103.2 anti-BTN3A1 antibody fragment | protein | 224 | 3% helix, 50% strand | — |
| C | 103.2 anti-BTN3A1 antibody fragment | protein | 220 | 4% helix, 50% strand | — |
Pockets
15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 316 | 0.76 | 0.87 | 54 | empty |
| 2 | 565 | 0.75 | 0.82 | 67 | empty |
| 3 | 558 | 0.73 | 0.81 | 72 | empty |
| 4 | 84 | 0.71 | 0.95 | 24 | empty |
| 5 | 168 | 0.68 | 0.87 | 35 | empty |
Interfaces
4 interfaces between chains.
- B–D · 573 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 535 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 476 Ų buried · 4 hydrogen bonds · protein-protein
- D–C · 225 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 4F9P · Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the 103.2 Single Chain… · the same entry in another collection · chain A against A, TM-score 1.00
- O00481 · AlphaFold monomer V2.0 prediction for butyrophilin subfamily 3 member A1 (O00481) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 O00481
- Elsewhere: RCSB PDB 4F9P · PDBe 4F9P · UniProt O00481
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