MolNFT v1 · #73279 · protein
X-ray structure of the apo form of human S100A16
3NXA · Protein S100-A16: “X-ray structure of the apo form of human S100A16”. X-ray diffraction, 1 pocket (best druggability 0.48). MolNFT v1 #73279 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3NXA
- Type
- protein
- Length
- 368 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein S100-A16
- UniProt
- Q96FQ6
- Pockets
- 1 · best druggability 0.48
Structure
x-ray diffraction · 4 distinct chains · 64% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein S100-A16 | protein | 100 | 63% helix, 2% strand | Q96FQ6 |
| B | Protein S100-A16 | protein | 97 | 64% helix, 6% strand | Q96FQ6 |
| C | Protein S100-A16 | protein | 97 | 66% helix, 2% strand | Q96FQ6 |
| D | Protein S100-A16 | protein | 74 | 61% helix, 5% strand | Q96FQ6 |
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 144 | 0.48 | 0.78 | 17 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1700 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1686 Ų buried · 17 hydrogen bonds · protein-protein
- B–D · 473 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 70 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 49 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
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 Q96FQ6
- Elsewhere: RCSB PDB 3NXA · PDBe 3NXA · UniProt Q96FQ6
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