MolNFT v1 · #17901 · protein
Crystal structure of engrailed homeodomain mutant K52E
1P7J · Segmentation polarity homeobox protein engrailed: “Crystal structure of engrailed homeodomain mutant K52E”. X-ray diffraction, 1 pocket (best druggability 0.37). MolNFT v1 #17901 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1P7J
- Type
- protein
- Length
- 209 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Segmentation polarity homeobox protein engrailed
- UniProt
- P02836
- Pockets
- 1 · best druggability 0.37
Structure
x-ray diffraction · 4 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Segmentation polarity homeobox protein engrailed | protein | 53 | 70% helix, 0% strand | P02836 |
| B | Segmentation polarity homeobox protein engrailed | protein | 51 | 75% helix, 0% strand | P02836 |
| C | Segmentation polarity homeobox protein engrailed | protein | 52 | 75% helix, 0% strand | P02836 |
| D | Segmentation polarity homeobox protein engrailed | protein | 53 | 75% helix, 0% strand | P02836 |
Ligands and binding sites
- NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 118 | 0.37 | 0.73 | 19 | empty |
Interfaces
1 interface between chains.
- B–D · 207 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 1P7J · Crystal structure of engrailed homeodomain mutant K52E · the same entry in another collection · chain D against D, TM-score 1.00
- P02836 · AlphaFold monomer V2.0 prediction for segmentation polarity homeobox protein engrailed… · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P02836
- Elsewhere: RCSB PDB 1P7J · PDBe 1P7J · UniProt P02836
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