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Crystal structure of the immediate-early 1 protein (IE1) at 2.31 ångström (tetragonal form after crystal dehydration)
Analyse Crystal structure of the immediate-early 1 protein (IE1) at 2.31 ångström… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WID
- Type
- protein
- Length
- 702 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RHUL123
- UniProt
- Q2FAE9
- Pockets
- 7 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RHUL123 | protein | 353 | 79% helix, 0% strand | Q2FAE9 |
| B | RHUL123 | protein | 349 | 82% helix, 0% strand | Q2FAE9 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 2 copies · chains B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 778 | 0.70 | 0.76 | 59 | empty |
| 2 | 735 | 0.69 | 0.77 | 57 | TRS |
| 3 | 161 | 0.58 | 0.82 | 34 | empty |
| 4 | 305 | 0.56 | 0.76 | 40 | empty |
| 5 | 57 | 0.38 | 0.80 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 3247 Ų buried · 38 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (methylation).
Compared structures
- 4WID · Crystal structure of the immediate-early 1 protein (IE1) at 2.31 angstrom (tetragonal… · 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 Q2FAE9
- Elsewhere: RCSB PDB 4WID · PDBe 4WID · UniProt Q2FAE9
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