MolNFT v1 · #144186 · protein
Crystal structure of IAG7 in complex with insulin mimotope P8G9E
6BLX · H-2 class II histocompatibility antigen, a-D alpha chain: “Crystal structure of IAG7 in complex with insulin mimotope P8G9E”. X-ray diffraction, 1 ligand (NAG), 3 pockets (best druggability 0.55). MolNFT v1 #144186 on GenesisL1: 3D…
- PDB
- 6BLX
- Type
- protein
- Length
- 379 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- H-2 class II histocompatibility antigen, a-D alpha chain; H2-AB1 protein
- UniProt
- P04228, Q31135
- Ligands
- NAG
- Pockets
- 3 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 16% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | H-2 class II histocompatibility antigen, a-D alpha chain | protein | 182 | 14% helix, 46% strand | P04228 |
| B | H2-AB1 protein | protein | 197 | 19% helix, 45% strand | Q31135 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
- FMT · Formic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 269 | 0.55 | 0.77 | 36 | EDO, FMT |
| 2 | 97 | 0.37 | 0.75 | 22 | empty |
| 3 | 54 | 0.26 | 0.73 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 3158 Ų buried · 62 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 6BLX · Crystal structure of IAg7 in complex with insulin mimotope p8G9E · 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 0.94
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 P04228
- Every structure of UniProt Q31135
- Elsewhere: RCSB PDB 6BLX · PDBe 6BLX · UniProt P04228 · UniProt Q31135
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