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Structure of SHE3P amino terminus.
Analyse Structure of SHE3P amino terminus. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4LL7
- Type
- protein
- Length
- 722 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SWI5-dependent ho expression protein 3
- UniProt
- P38272
- Ligands
- DY, PT, SO4
- Pockets
- 8 · best druggability 0.74
Structure
x-ray diffraction · 6 distinct chains · 96% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SWI5-dependent ho expression protein 3 | protein | 94 | 95% helix, 0% strand | P38272 |
| B | SWI5-dependent ho expression protein 3 | protein | 88 | 95% helix, 0% strand | P38272 |
| C | SWI5-dependent ho expression protein 3 | protein | 90 | 98% helix, 0% strand | P38272 |
| D, F, H | SWI5-dependent ho expression protein 3 | protein | 91 | 98% helix, 0% strand | P38272 |
| E | SWI5-dependent ho expression protein 3 | protein | 90 | 94% helix, 0% strand | P38272 |
| G | SWI5-dependent ho expression protein 3 | protein | 87 | 94% helix, 0% strand | P38272 |
Ligands and binding sites
- DY · Dysprosium ion · metal · 26 copies · chains A, B, E, G, C, D, F, H
- PT · Platinum (II) ion · metal · 6 copies · chains A, F, B, E, C, G, D, H
- SO4 · Sulfate ion · ion · 29 copies · chains A, E, F, G, B, H, C, D
- EDO · 1,2-ethanediol · additive · 7 copies · chains B, D, E, F, H
- IPA · Isopropyl alcohol · additive · 6 copies · chains C, D, E, F
- DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · chains A, B, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 70 | 0.74 | 0.98 | 19 | PT |
| 2 | 1140 | 0.73 | 0.77 | 83 | DY, SO4, DTT, IPA |
| 3 | 59 | 0.72 | 0.98 | 17 | PT |
| 4 | 52 | 0.71 | 0.99 | 17 | PT |
| 5 | 653 | 0.68 | 0.76 | 60 | DY |
Interfaces
18 interfaces between chains.
- D–E · 1313 Ų buried · 19 hydrogen bonds · protein-protein
- B–H · 1301 Ų buried · 18 hydrogen bonds · protein-protein
- A–F · 1300 Ų buried · 17 hydrogen bonds · protein-protein
- B–E · 1281 Ų buried · 14 hydrogen bonds · protein-protein
- C–G · 1269 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
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 P38272
- Elsewhere: RCSB PDB 4LL7 · PDBe 4LL7 · UniProt P38272
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