MolNFT v1 · #104556 · protein
Elxo with NADP bound
4QEC: “Elxo with NADP bound”. X-ray diffraction, 2 ligands (NAP, SO4), 6 pockets (best druggability 0.74). MolNFT v1 #104556 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4QEC
- Type
- protein
- Length
- 496 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Elxo
- UniProt
- I6ZQW6
- Ligands
- NAP, SO4
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Elxo | protein | 248 | 52% helix, 16% strand | I6ZQW6 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 671 | 0.74 | 0.80 | 47 | NAP |
| 2 | 659 | 0.73 | 0.80 | 46 | NAP |
| 3 | 145 | 0.53 | 0.80 | 24 | empty |
| 4 | 174 | 0.50 | 0.77 | 24 | empty |
| 5 | 92 | 0.40 | 0.77 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1446 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4QEC · ElxO with NADP Bound · 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
- Every structure of UniProt I6ZQW6
- Elsewhere: RCSB PDB 4QEC · PDBe 4QEC · UniProt I6ZQW6
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