MolNFT v1 · #116090 · protein
Directed evolutionary changes in kemp eliminase KE07 - crystal 16 round 7
5D37 · De novo kemp eliminase KE07 round 7: “Directed evolutionary changes in kemp eliminase KE07 - crystal 16 round 7”. X-ray diffraction, 7 pockets (best druggability 0.67). MolNFT v1 #116090 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5D37
- Type
- protein
- Length
- 519 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- De novo kemp eliminase KE07 round 7
- Pockets
- 7 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | De novo kemp eliminase KE07 round 7 | protein | 256 | 39% helix, 25% strand | — |
| B | De novo kemp eliminase KE07 round 7 | protein | 263 | 38% helix, 23% strand | — |
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 | 366 | 0.67 | 0.81 | 47 | empty |
| 2 | 310 | 0.60 | 0.78 | 37 | empty |
| 3 | 118 | 0.59 | 0.85 | 19 | empty |
| 4 | 398 | 0.57 | 0.74 | 44 | empty |
| 5 | 55 | 0.45 | 0.84 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 458 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5D37 · Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 16 round 7 · 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 5D37 · PDBe 5D37
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