MolNFT v1 · #166463 · protein
Crystal structure of GTPase domain of human septin 7 / septin 3 T282Y heterocomplex
6UQQ · Septin-7: “Crystal structure of GTPase domain of human septin 7 / septin 3 T282Y heterocomplex”. X-ray diffraction, 1 ligand (GDP), 15 pockets (best druggability 0.80). MolNFT v1 #166463 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6UQQ
- Type
- protein
- Length
- 1,049 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Septin-7; Neuronal-specific septin-3
- UniProt
- Q16181, Q9UH03
- Ligands
- GDP
- Pockets
- 15 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Septin-7 | protein | 265 | 37% helix, 20% strand | Q16181 |
| B | Septin-7 | protein | 242 | 38% helix, 19% strand | Q16181 |
| C | Neuronal-specific septin-3 | protein | 280 | 38% helix, 18% strand | Q9UH03 |
| D | Neuronal-specific septin-3 | protein | 262 | 39% helix, 19% strand | Q9UH03 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 995 | 0.80 | 0.81 | 86 | empty |
| 2 | 192 | 0.60 | 0.82 | 47 | GDP |
| 3 | 218 | 0.60 | 0.80 | 38 | empty |
| 4 | 65 | 0.50 | 0.84 | 16 | empty |
| 5 | 112 | 0.44 | 0.77 | 26 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1242 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 460 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 165 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6UQQ · Crystal Structure of GTPase Domain of Human Septin 7 / Septin 3 T282Y Heterocomplex · the same entry in another collection · chain D against D, TM-score 1.00
- Q16181 · AlphaFold monomer V2.0 prediction for septin-7 (Q16181) · a predicted model of the same protein · chain B against A, TM-score 0.96
- Q9UH03 · AlphaFold monomer V2.0 prediction for neuronal-specific septin-3 (Q9UH03) · a predicted model of the same protein · chain D against A, TM-score 0.92
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 Q16181
- Every structure of UniProt Q9UH03
- Elsewhere: RCSB PDB 6UQQ · PDBe 6UQQ · UniProt Q16181 · UniProt Q9UH03
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