MolNFT v1 · #141429 · protein
Artificial L-threonine 3-dehydrogenase designed by full consensus design
5Z76: “Artificial L-threonine 3-dehydrogenase designed by full consensus design”. X-ray diffraction, 9 pockets (best druggability 0.80). MolNFT v1 #141429 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5Z76
- Type
- protein
- Length
- 1,194 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Artificial L-threonine 3-dehydrogenase
- EC
- 1.1.1.103
- Pockets
- 9 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Artificial L-threonine 3-dehydrogenase (EC 1.1.1.103) | protein | 310 | 43% helix, 16% strand | — |
| C | Artificial L-threonine 3-dehydrogenase (EC 1.1.1.103) | protein | 302 | 43% helix, 16% strand | — |
| D | Artificial L-threonine 3-dehydrogenase (EC 1.1.1.103) | protein | 272 | 43% helix, 15% strand | — |
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 906 | 0.80 | 0.82 | 75 | empty |
| 2 | 887 | 0.72 | 0.76 | 84 | empty |
| 3 | 619 | 0.70 | 0.78 | 59 | empty |
| 4 | 509 | 0.70 | 0.79 | 61 | empty |
| 5 | 259 | 0.53 | 0.76 | 33 | empty |
Interfaces
4 interfaces between chains.
- B–D · 1282 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 1277 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 196 Ų buried · 1 hydrogen bond · protein-protein
- C–B · 143 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5Z76 · Artificial L-threonine 3-dehydrogenase designed by full consensus design · 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 5Z76 · PDBe 5Z76
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