MolNFT v1 · #75141 · protein
Crystal structure of the shikimate 5-dehydrogenase (aroe) from helicobacter pylori
3PHG · Shikimate dehydrogenase: “Crystal structure of the shikimate 5-dehydrogenase (aroe) from helicobacter pylori”. X-ray diffraction, 4 pockets (best druggability 0.80). MolNFT v1 #75141 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3PHG
- Type
- protein
- Length
- 513 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Shikimate dehydrogenase
- EC
- 1.1.1.25
- UniProt
- P56119
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Shikimate dehydrogenase (EC 1.1.1.25) | protein | 258 | 41% helix, 22% strand | P56119 |
| B | Shikimate dehydrogenase (EC 1.1.1.25) | protein | 255 | 41% helix, 22% strand | P56119 |
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 | 171 | 0.80 | 0.95 | 34 | empty |
| 2 | 665 | 0.79 | 0.84 | 71 | empty |
| 3 | 109 | 0.40 | 0.75 | 27 | empty |
| 4 | 55 | 0.25 | 0.72 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 482 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3PHG · Crystal structure of the Shikimate 5-Dehydrogenase (aroE) from Helicobacter pylori · the same entry in another collection · chain A against A, TM-score 1.00
- P56119 · AlphaFold monomer V2.0 prediction for shikimate dehydrogenase (NADP(+)) (P56119) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P56119
- Elsewhere: RCSB PDB 3PHG · PDBe 3PHG · UniProt P56119
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