Research workbench
Structure of I-AG7 with a bound hybrid insulin peptide
Analyse Structure of I-AG7 with a bound hybrid insulin peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7QHP
- Type
- protein
- Length
- 378 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- H-2 class II histocompatibility antigen, a-D alpha chain; Murine MHC class II I-a beta…
- UniProt
- P04228, P01325
- Ligands
- NA, SO4
- Pockets
- 2 · best druggability 0.37
Structure
x-ray diffraction · 3 distinct chains · 16% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | H-2 class II histocompatibility antigen, a-D alpha chain | protein | 181 | 15% helix, 43% strand | P04228 |
| B | Murine MHC class II I-a beta G7 | protein | 184 | 18% helix, 46% strand | — |
| T | Insulin-1 | protein | 13 | 0% helix, 8% strand | P01325 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains B
- SO4 · Sulfate ion · ion · chains B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 81 | 0.37 | 0.77 | 23 | empty |
| 2 | 103 | 0.35 | 0.73 | 28 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2530 Ų buried · 48 hydrogen bonds · protein-protein
- B–T · 722 Ų buried · 15 hydrogen bonds · protein-protein
- A–T · 671 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 7QHP · Structure of I-Ag7 with a bound hybrid insulin peptide · the same entry in another collection · chain A against A, TM-score 1.00
- P04228 · AlphaFold monomer V2.0 prediction for H-2 class II histocompatibility antigen, a-D alpha… · a predicted model of the same protein · chain A against A, TM-score 0.96
- P01325 · AlphaFold monomer V2.0 prediction for insulin-1 (P01325) · a predicted model of the same protein · chain T against A, TM-score 0.22
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 P04228
- Every structure of UniProt P01325
- Elsewhere: RCSB PDB 7QHP · PDBe 7QHP · UniProt P04228 · UniProt P01325
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