MolNFT v1 · #100794 · protein
Crystal structure of TSE3-TSI3 complex with calcium ion
4N88 · Uncharacterized protein: “Crystal structure of TSE3-TSI3 complex with calcium ion”. X-ray diffraction, 1 ligand (CA), 7 pockets (best druggability 0.71). MolNFT v1 #100794 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4N88
- Type
- protein
- Length
- 1,042 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q9HYC5, Q9HYC4
- Ligands
- CA
- Pockets
- 7 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Uncharacterized protein | protein | 401 | 60% helix, 2% strand | Q9HYC5 |
| B, D | Uncharacterized protein | protein | 120 | 7% helix, 48% strand | Q9HYC4 |
Ligands and binding sites
- CA · Calcium ion · metal · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 551 | 0.71 | 0.80 | 48 | empty |
| 2 | 576 | 0.69 | 0.78 | 55 | empty |
| 3 | 161 | 0.53 | 0.80 | 22 | empty |
| 4 | 177 | 0.53 | 0.79 | 26 | empty |
| 5 | 59 | 0.45 | 0.83 | 13 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1032 Ų buried · 25 hydrogen bonds · protein-protein
- A–B · 1027 Ų buried · 24 hydrogen bonds · protein-protein
- A–C · 410 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4N88 · Crystal structure of Tse3-Tsi3 complex with calcium ion · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HYC4 · AlphaFold monomer V2.0 prediction for immune protein TSI3 (Q9HYC4) · a predicted model of the same protein · chain B against A, TM-score 0.98
- Q9HYC5 · AlphaFold monomer V2.0 prediction for peptidoglycan muramidase TSE3 (Q9HYC5) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q9HYC5
- Every structure of UniProt Q9HYC4
- Elsewhere: RCSB PDB 4N88 · PDBe 4N88 · UniProt Q9HYC5 · UniProt Q9HYC4
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