Research workbench
Crystal structure of IAG7 in complex with insulin mimotope P8E9E
Analyse Crystal structure of IAG7 in complex with insulin mimotope P8E9E in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6BLQ
- Type
- protein
- Length
- 384 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 0.59
Structure
x-ray diffraction · 2 distinct chains · 16% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | H-2 class II histocompatibility antigen, a-D alpha chain | protein | 184 | 13% helix, 45% strand | P04228 |
| B | H2-AB1 protein | protein | 200 | 18% helix, 43% strand | Q31135 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, B
- IPA · Isopropyl alcohol · additive · 4 copies · chains A, B
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 | 385 | 0.59 | 0.76 | 47 | IPA |
| 2 | 123 | 0.41 | 0.75 | 22 | EDO |
| 3 | 56 | 0.28 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 3184 Ų buried · 65 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 6BLQ · Crystal Structure of IAg7 in complex with insulin mimotope p8E9E · 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 0.93
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 6BLQ · PDBe 6BLQ · UniProt P04228 · UniProt Q31135
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