MolNFT v1 · #81639 · protein
Designed protein KE59 R1 7/10H
3UXA · Kemp eliminase KE59 R1 7/10H: “Designed protein KE59 R1 7/10H”. X-ray diffraction, 1 ligand (PO4), 4 pockets (best druggability 0.77). MolNFT v1 #81639 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3UXA
- Type
- protein
- Length
- 494 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kemp eliminase KE59 R1 7/10H
- EC
- 4.-.-.-
- Ligands
- PO4
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Kemp eliminase KE59 R1 7/10H (EC 4.-.-.-) | protein | 247 | 41% helix, 16% strand | — |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 185 | 0.77 | 0.92 | 33 | empty |
| 2 | 334 | 0.76 | 0.87 | 56 | PO4 |
| 3 | 69 | 0.38 | 0.79 | 18 | empty |
| 4 | 83 | 0.34 | 0.75 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 797 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 3UXA · Designed protein KE59 R1 7/10H · 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
- Elsewhere: RCSB PDB 3UXA · PDBe 3UXA
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