MolNFT v1 · #106220 · protein
2.9A resolution structure of SRPN2 (K198C/E359C) from anopheles gambiae
4RSQ · Serpin 2: “2.9A resolution structure of SRPN2 (K198C/E359C) from anopheles gambiae”. X-ray diffraction, 20 pockets (best druggability 0.64). MolNFT v1 #106220 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4RSQ
- Type
- protein
- Length
- 4,266 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serpin 2
- UniProt
- Q005N3
- Pockets
- 20 · best druggability 0.64
Structure
x-ray diffraction · 11 distinct chains · 28% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serpin 2 | protein | 356 | 29% helix, 33% strand | Q005N3 |
| B | Serpin 2 | protein | 355 | 26% helix, 34% strand | Q005N3 |
| C | Serpin 2 | protein | 354 | 29% helix, 34% strand | Q005N3 |
| D | Serpin 2 | protein | 355 | 26% helix, 33% strand | Q005N3 |
| E, K | Serpin 2 | protein | 356 | 28% helix, 34% strand | Q005N3 |
| F | Serpin 2 | protein | 353 | 28% helix, 34% strand | Q005N3 |
| G | Serpin 2 | protein | 357 | 28% helix, 33% strand | Q005N3 |
| H | Serpin 2 | protein | 357 | 29% helix, 33% strand | Q005N3 |
| I | Serpin 2 | protein | 356 | 29% helix, 33% strand | Q005N3 |
| J | Serpin 2 | protein | 355 | 28% helix, 34% strand | Q005N3 |
| L | Serpin 2 | protein | 356 | 29% helix, 33% strand | Q005N3 |
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 485 | 0.64 | 0.77 | 66 | empty |
| 2 | 324 | 0.63 | 0.79 | 44 | empty |
| 3 | 485 | 0.62 | 0.76 | 58 | empty |
| 4 | 189 | 0.60 | 0.82 | 43 | empty |
| 5 | 380 | 0.57 | 0.75 | 61 | empty |
Interfaces
24 interfaces between chains.
- B–C · 845 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 828 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 757 Ų buried · 9 hydrogen bonds · protein-protein
- J–K · 754 Ų buried · 9 hydrogen bonds · protein-protein
- J–L · 753 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 4RSQ · 2.9A resolution structure of SRPN2 (K198C/E359C) 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 4RSQ · PDBe 4RSQ · UniProt Q005N3
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