MolNFT v1 · #138180 · protein
Mgaspn protein, mga regulator from streptococcus pneumoniae
5WAY · Transcriptional activator: “Mgaspn protein, mga regulator from streptococcus pneumoniae”. X-ray diffraction, 2 ligands (K, NI), 18 pockets (best druggability 0.80). MolNFT v1 #138180 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5WAY
- Type
- protein
- Length
- 959 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional activator
- UniProt
- A0A0I9KAN0
- Ligands
- K, NI
- Pockets
- 18 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 58% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional activator | protein | 482 | 58% helix, 7% strand | A0A0I9KAN0 |
| B | Transcriptional activator | protein | 477 | 59% helix, 6% strand | A0A0I9KAN0 |
Ligands and binding sites
- K · Potassium ion · metal · chains A
- NI · Nickel (II) ion · metal · chains A
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 106 | 0.80 | 0.99 | 24 | empty |
| 2 | 102 | 0.78 | 0.98 | 25 | empty |
| 3 | 277 | 0.78 | 0.90 | 31 | empty |
| 4 | 248 | 0.78 | 0.91 | 30 | empty |
| 5 | 56 | 0.72 | 0.98 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 3932 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 5WAY · MgaSpn protein, Mga regulator from Streptococcus pneumoniae · 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 A0A0I9KAN0
- Elsewhere: RCSB PDB 5WAY · PDBe 5WAY · UniProt A0A0I9KAN0
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