MolNFT v1 · #17889 · protein
Crystal structure of shikimate dehydrogenase (aroe) from haemophilus influenzae
1P77 · Shikimate 5-dehydrogenase: “Crystal structure of shikimate dehydrogenase (aroe) from haemophilus influenzae”. X-ray diffraction, 1 ligand (ATR), 3 pockets (best druggability 0.66). MolNFT v1 #17889 on GenesisL1: 3D structure…
- PDB
- 1P77
- Type
- protein
- Length
- 265 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Shikimate 5-dehydrogenase
- EC
- 1.1.1.25
- UniProt
- P43876
- Ligands
- ATR
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Shikimate 5-dehydrogenase (EC 1.1.1.25) | protein | 265 | 43% helix, 20% strand | P43876 |
Ligands and binding sites
- ATR · 2'-monophosphoadenosine-5'-diphosphate · ligand · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 389 | 0.66 | 0.79 | 39 | empty |
| 2 | 107 | 0.39 | 0.75 | 18 | empty |
| 3 | 87 | 0.35 | 0.75 | 22 | ATR |
Compared structures
- 1P77 · Crystal structure of shikimate dehydrogenase (aroe) from haemophilus influenzae · the same entry in another collection · chain A against A, TM-score 1.00
- P43876 · AlphaFold monomer V2.0 prediction for shikimate dehydrogenase (NADP(+)) (P43876) · 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 P43876
- Elsewhere: RCSB PDB 1P77 · PDBe 1P77 · UniProt P43876
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