MolNFT v1 · #87004 · protein
The structure of the staphylococcus aureus HAM1 protein
4BNQ · Non-canonical purine ntp pyrophosphatase: “The structure of the staphylococcus aureus HAM1 protein”. X-ray diffraction, 1 ligand (PO4), 4 pockets (best druggability 0.69). MolNFT v1 #87004 on GenesisL1: 3D structure, binding sites…
- PDB
- 4BNQ
- Type
- protein
- Length
- 386 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Non-canonical purine ntp pyrophosphatase
- EC
- 3.6.1.19
- UniProt
- P99094
- Ligands
- PO4
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Non-canonical purine ntp pyrophosphatase (EC 3.6.1.19) | protein | 194 | 42% helix, 26% strand | P99094 |
| B | Non-canonical purine ntp pyrophosphatase (EC 3.6.1.19) | protein | 192 | 41% helix, 26% strand | P99094 |
Ligands and binding sites
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 | 599 | 0.69 | 0.78 | 60 | PO4 |
| 2 | 280 | 0.68 | 0.83 | 34 | PO4 |
| 3 | 507 | 0.65 | 0.77 | 50 | PO4 |
| 4 | 69 | 0.33 | 0.75 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 760 Ų buried · 6 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 P99094
- Elsewhere: RCSB PDB 4BNQ · PDBe 4BNQ · UniProt P99094
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.