MolNFT v1 · #54465 · protein
Crystal structure of a SPT6-IWS1(SPN1) complex from encephalitozoon cuniculi, form II
2XPO: “Crystal structure of a SPT6-IWS1(SPN1) complex from encephalitozoon cuniculi, form II”. X-ray diffraction, 1 ligand (CL), 1 pocket (best druggability 0.68). MolNFT v1 #54465 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2XPO
- Type
- protein
- Length
- 307 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- IWS1; Chromatin structure modulator
- UniProt
- Q8SUS7, Q8SRG7
- Ligands
- CL
- Pockets
- 1 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 68% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | IWS1 | protein | 139 | 75% helix, 0% strand | Q8SUS7 |
| B | Chromatin structure modulator | protein | 15 | 47% helix, 0% strand | Q8SRG7 |
| D | Chromatin structure modulator | protein | 14 | 29% helix, 0% strand | Q8SRG7 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 692 | 0.68 | 0.76 | 60 | empty |
Interfaces
3 interfaces between chains.
- A–B · 800 Ų buried · 1 hydrogen bond · protein-protein
- C–D · 750 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 263 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 2XPO · Crystal structure of a Spt6-Iws1(Spn1) complex from Encephalitozoon cuniculi, Form II · 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 Q8SUS7
- Every structure of UniProt Q8SRG7
- Elsewhere: RCSB PDB 2XPO · PDBe 2XPO · UniProt Q8SUS7 · UniProt Q8SRG7
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