MolNFT v1 · #63628 · protein
Crystal structure of CF34 TCR in complex with HLA-B8/FLR
3FFC · HLA class I histocompatibility antigen, B-8 alpha chain: “Crystal structure of CF34 TCR in complex with HLA-B8/FLR”. X-ray diffraction, 3 ligands (CD, NA, CL), 20 pockets (best druggability 0.77). MolNFT v1 #63628 on GenesisL1: 3D…
- PDB
- 3FFC
- Type
- protein
- Length
- 1,669 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, B-8 alpha chain; Beta-2-microglobulin; Flrgraygl…
- UniProt
- P30460, P61769
- Ligands
- CD, NA, CL
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 6 distinct chains · 15% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, B-8 alpha chain | protein | 277 | 27% helix, 39% strand | P30460 |
| B, G | Beta-2-microglobulin | protein | 100 | 0% helix, 49% strand | P61769 |
| C, H | Flrgraygl peptide from an EBV protein | protein | 9 | 0% helix, 0% strand | — |
| D, I | CF34 alpha chain | protein | 202 | 1% helix, 43% strand | — |
| E, J | CF34 beta chain | protein | 247 | 9% helix, 47% strand | — |
| F | HLA class I histocompatibility antigen, B-8 alpha chain | protein | 276 | 27% helix, 38% strand | P30460 |
Ligands and binding sites
- CD · Cadmium ion · metal · 10 copies · chains A, B, F, D, E, G, I, J
- NA · Sodium ion · metal · 10 copies · chains A, B, D, E, F, G, J
- CL · Chloride ion · ion · 11 copies · chains A, F, G, B, D, E, J
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 367 | 0.77 | 0.87 | 51 | CL |
| 2 | 357 | 0.77 | 0.87 | 51 | CL |
| 3 | 1059 | 0.72 | 0.76 | 77 | empty |
| 4 | 126 | 0.72 | 0.92 | 25 | CD |
| 5 | 851 | 0.70 | 0.76 | 74 | empty |
Interfaces
19 interfaces between chains.
- I–J · 2257 Ų buried · 28 hydrogen bonds · protein-protein
- D–E · 2210 Ų buried · 23 hydrogen bonds · protein-protein
- F–G · 1497 Ų buried · 27 hydrogen bonds · protein-protein
- A–B · 1452 Ų buried · 25 hydrogen bonds · protein-protein
- F–H · 954 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
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 P30460
- Every structure of UniProt P61769
- Elsewhere: RCSB PDB 3FFC · PDBe 3FFC · UniProt P30460 · UniProt P61769
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