MolNFT v1 · #166042 · protein
Structure of dimeric siga complex
6UE7 · Immunoglobulin heavy constant alpha 1: “Structure of dimeric siga complex”. Electron microscopy, 2 ligands (NAG, BMA), 19 pockets (best druggability 0.84). MolNFT v1 #166042 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6UE7
- Type
- protein
- Length
- 1,571 residues
- Chains
- 6
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Immunoglobulin heavy constant alpha 1; Polymeric immunoglobulin receptor; Immunoglobulin…
- UniProt
- P01876, P01833, P01591
- Ligands
- NAG, BMA
- Pockets
- 19 · best druggability 0.84
Structure
electron microscopy · 6 distinct chains · 7% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Immunoglobulin heavy constant alpha 1 | protein | 222 | 9% helix, 34% strand | P01876 |
| B | Immunoglobulin heavy constant alpha 1 | protein | 230 | 11% helix, 36% strand | P01876 |
| C | Polymeric immunoglobulin receptor | protein | 534 | 5% helix, 42% strand | P01833 |
| F | Immunoglobulin heavy constant alpha 1 | protein | 231 | 8% helix, 38% strand | P01876 |
| G | Immunoglobulin heavy constant alpha 1 | protein | 223 | 6% helix, 34% strand | P01876 |
| D | Immunoglobulin J chain | protein | 131 | 3% helix, 37% strand | P01591 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 15 copies · chains C, F, D, A, B
- BMA · beta-D-mannopyranose · sugar
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 942 | 0.84 | 0.86 | 76 | empty |
| 2 | 921 | 0.77 | 0.80 | 86 | empty |
| 3 | 698 | 0.66 | 0.75 | 69 | empty |
| 4 | 159 | 0.51 | 0.79 | 25 | empty |
| 5 | 238 | 0.51 | 0.75 | 34 | empty |
Interfaces
14 interfaces between chains.
- F–D · 1831 Ų buried · 25 hydrogen bonds · protein-protein
- B–D · 1756 Ų buried · 15 hydrogen bonds · protein-protein
- F–G · 1703 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1669 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 411 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 25 disulfide, 11 glycan (disulfide, N-glycosylation).
Compared structures
- 6UE7 · Structure of dimeric sIgA complex · the same entry in another collection · chain D against D, TM-score 1.00
- P01833 · AlphaFold monomer V2.0 prediction for polymeric immunoglobulin receptor (P01833) · a predicted model of the same protein · chain C against A, TM-score 0.96
- P01591 · AlphaFold monomer V2.0 prediction for immunoglobulin J chain (P01591) · a predicted model of the same protein · chain D against A, TM-score 0.93
- P01876 · AlphaFold monomer V2.0 prediction for immunoglobulin heavy constant alpha 1 (P01876) · a predicted model of the same protein · chain A against A, TM-score 0.90
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 P01876
- Every structure of UniProt P01833
- Every structure of UniProt P01591
- Elsewhere: RCSB PDB 6UE7 · PDBe 6UE7 · UniProt P01876 · UniProt P01833 · UniProt P01591
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