MolNFT v1 · #49008 · protein
Crystal structure of human septin trimer 2/6/7
2QAG · Septin-2: “Crystal structure of human septin trimer 2/6/7”. X-ray diffraction, 2 ligands (GDP, GTP), 11 pockets (best druggability 0.80). MolNFT v1 #49008 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2QAG
- Type
- protein
- Length
- 702 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Septin-2; Septin-6; Septin-7
- UniProt
- Q15019, Q14141, Q16181
- Ligands
- GDP, GTP
- Pockets
- 11 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 38% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Septin-2 | protein | 232 | 39% helix, 18% strand | Q15019 |
| B | Septin-6 | protein | 246 | 39% helix, 17% strand | Q14141 |
| C | Septin-7 | protein | 224 | 35% helix, 17% strand | Q16181 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, B, C
- GTP · Guanosine-5'-triphosphate · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 875 | 0.80 | 0.82 | 97 | empty |
| 2 | 580 | 0.79 | 0.85 | 71 | empty |
| 3 | 366 | 0.73 | 0.85 | 63 | empty |
| 4 | 413 | 0.72 | 0.83 | 77 | empty |
| 5 | 257 | 0.68 | 0.84 | 49 | empty |
Interfaces
2 interfaces between chains.
- A–B · 785 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 641 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2QAG · Crystal structure of human septin trimer 2/6/7 · the same entry in another collection · chain A against A, TM-score 1.00
- Q15019 · AlphaFold monomer V2.0 prediction for septin-2 (Q15019) · a predicted model of the same protein · chain A against A, TM-score 0.95
- Q16181 · AlphaFold monomer V2.0 prediction for septin-7 (Q16181) · a predicted model of the same protein · chain C against A, TM-score 0.93
- Q14141 · AlphaFold monomer V2.0 prediction for septin-6 (Q14141) · a predicted model of the same protein · chain B against A, TM-score 0.93
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 Q15019
- Every structure of UniProt Q14141
- Every structure of UniProt Q16181
- Elsewhere: RCSB PDB 2QAG · PDBe 2QAG · UniProt Q15019 · UniProt Q14141 · UniProt Q16181
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