MolNFT v1 · #69057 · protein
Crystal structure of ISPH:PP complex
3KEL · 4-hydroxy-3-methylbut-2-enyl diphosphate reductase: “Crystal structure of ISPH:PP complex”. X-ray diffraction, 2 ligands (F3S, POP), 7 pockets (best druggability 0.80). MolNFT v1 #69057 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3KEL
- Type
- protein
- Length
- 618 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-hydroxy-3-methylbut-2-enyl diphosphate reductase
- EC
- 1.17.1.2
- UniProt
- P62623
- Ligands
- F3S, POP
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase (EC 1.17.1.2) | protein | 309 | 42% helix, 19% strand | P62623 |
Ligands and binding sites
- F3S · FE3-S4 cluster · ligand · 2 copies · chains A, B
- POP · Pyrophosphate 2- · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 131 | 0.80 | 0.97 | 27 | F3S, POP |
| 2 | 126 | 0.80 | 0.98 | 27 | F3S, POP |
| 3 | 957 | 0.78 | 0.80 | 65 | empty |
| 4 | 151 | 0.53 | 0.81 | 28 | empty |
| 5 | 82 | 0.51 | 0.84 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 917 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
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 P62623
- Elsewhere: RCSB PDB 3KEL · PDBe 3KEL · UniProt P62623
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.