MolNFT v1 · #81660 · protein
Designed protein KE59 R1 7/10H with G130S mutation
3UY7 · Kemp eliminase KE59 R1 7/10H: “Designed protein KE59 R1 7/10H with G130S mutation”. X-ray diffraction, 2 ligands (NA, SO4), 4 pockets (best druggability 0.76). MolNFT v1 #81660 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3UY7
- 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
- NA, SO4
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Kemp eliminase KE59 R1 7/10H (EC 4.-.-.-) | protein | 247 | 41% helix, 17% strand | — |
Ligands and binding sites
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 | 355 | 0.76 | 0.86 | 58 | SO4 |
| 2 | 211 | 0.75 | 0.90 | 36 | SO4 |
| 3 | 81 | 0.42 | 0.79 | 19 | empty |
| 4 | 107 | 0.38 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 802 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 3UY7 · Designed protein KE59 R1 7/10H with G130S mutation · 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 3UY7 · PDBe 3UY7
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