MolNFT v1 · #106074 · protein
2.0A resolution structure of SRPN2 (S358E) from anopheles gambiae
4RO9 · Serpin 2: “2.0A resolution structure of SRPN2 (S358E) from anopheles gambiae”. X-ray diffraction, 6 pockets (best druggability 0.57). MolNFT v1 #106074 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4RO9
- Type
- protein
- Length
- 1,037 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serpin 2
- UniProt
- Q005N3
- Pockets
- 6 · best druggability 0.57
Structure
x-ray diffraction · 3 distinct chains · 28% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serpin 2 | protein | 353 | 28% helix, 35% strand | Q005N3 |
| B | Serpin 2 | protein | 348 | 29% helix, 34% strand | Q005N3 |
| C | Serpin 2 | protein | 336 | 26% helix, 35% strand | Q005N3 |
Ligands and binding sites
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 299 | 0.57 | 0.77 | 49 | empty |
| 2 | 180 | 0.47 | 0.75 | 32 | empty |
| 3 | 114 | 0.43 | 0.77 | 23 | empty |
| 4 | 103 | 0.35 | 0.74 | 19 | empty |
| 5 | 60 | 0.33 | 0.77 | 18 | empty |
Interfaces
3 interfaces between chains.
- B–C · 714 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 687 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 672 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4RO9 · 2.0A resolution structure of SRPN2 (S358E) from Anopheles gambiae · the same entry in another collection · chain A against A, TM-score 1.00
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 Q005N3
- Elsewhere: RCSB PDB 4RO9 · PDBe 4RO9 · UniProt Q005N3
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