MolNFT v1 · #105978 · protein
Crystal structure of the C-di-AMP binding pii-like protein dara
4RLE · Uncharacterized protein yaaq: “Crystal structure of the C-di-AMP binding pii-like protein dara”. X-ray diffraction, 2 ligands (2BA, NI), 1 pocket (best druggability 0.38). MolNFT v1 #105978 on GenesisL1: 3D structure, binding sites…
- PDB
- 4RLE
- Type
- protein
- Length
- 116 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein yaaq
- UniProt
- P37538
- Ligands
- 2BA, NI
- Pockets
- 1 · best druggability 0.38
Structure
x-ray diffraction · 1 distinct chain · 23% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein yaaq | protein | 116 | 23% helix, 34% strand | P37538 |
Ligands and binding sites
- 2BA · (2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-D:3', 2'-J][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5, 10,12-tetrol 5,12-dioxide · ligand · chains A
- NI · Nickel (II) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 85 | 0.38 | 0.77 | 20 | empty |
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 P37538
- Elsewhere: RCSB PDB 4RLE · PDBe 4RLE · UniProt P37538
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