MolNFT v1 · #125865 · protein
Plasmodium falciparum nicotinic acid mononucleotide adenylyltransferase complexed with naad
5LLT · Nicotinate-nucleotide adenylyltransferase: “Plasmodium falciparum nicotinic acid mononucleotide adenylyltransferase complexed with naad”. X-ray diffraction, 1 ligand (DND), 4 pockets (best druggability 0.72). MolNFT v1 #125865 on…
- PDB
- 5LLT
- Type
- protein
- Length
- 410 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nicotinate-nucleotide adenylyltransferase
- EC
- 2.7.7.18
- UniProt
- Q8IE38
- Ligands
- DND
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Nicotinate-nucleotide adenylyltransferase (EC 2.7.7.18) | protein | 205 | 38% helix, 18% strand | Q8IE38 |
Ligands and binding sites
- DND · Nicotinic acid adenine dinucleotide · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 9 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 368 | 0.72 | 0.83 | 44 | DND |
| 2 | 378 | 0.70 | 0.82 | 46 | DND, PEG |
| 3 | 254 | 0.56 | 0.78 | 25 | empty |
| 4 | 151 | 0.43 | 0.75 | 26 | EDO |
Interfaces
1 interface between chains.
- A–B · 531 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5LLT · Plasmodium falciparum nicotinic acid mononucleotide adenylyltransferase complexed with… · 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 Q8IE38
- Elsewhere: RCSB PDB 5LLT · PDBe 5LLT · UniProt Q8IE38
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