Research workbench
Crystal structure of the ctla-4/B7-2 complex
Analyse Crystal structure of the ctla-4/B7-2 complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1I85
- Type
- protein
- Length
- 448 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- T lymphocyte activation antigen CD86; Cytotoxic T-lymphocyte-associated protein 4
- UniProt
- P42081, P16410
- Pockets
- 1 · best druggability 0.35
Structure
x-ray diffraction · 4 distinct chains · 0% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | T lymphocyte activation antigen CD86 | protein | 110 | 0% helix, 41% strand | P42081 |
| B | T lymphocyte activation antigen CD86 | protein | 109 | 0% helix, 43% strand | P42081 |
| C | Cytotoxic T-lymphocyte-associated protein 4 | protein | 118 | 0% helix, 37% strand | P16410 |
| D | Cytotoxic T-lymphocyte-associated protein 4 | protein | 111 | 0% helix, 35% strand | P16410 |
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.35 | 0.79 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–B · 800 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 639 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 378 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1I85 · Crystal structure of the ctla-4/B7-2 complex · the same entry in another collection · chain D against D, TM-score 1.00
- P42081 · AlphaFold monomer V2.0 prediction for T-lymphocyte activation antigen CD86 (P42081) · a predicted model of the same protein · chain B against A, TM-score 0.98
- P16410 · AlphaFold monomer V2.0 prediction for cytotoxic T-lymphocyte protein 4 (P16410) · a predicted model of the same protein · chain D against A, TM-score 0.94
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 P42081
- Every structure of UniProt P16410
- Elsewhere: RCSB PDB 1I85 · PDBe 1I85 · UniProt P42081 · UniProt P16410
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