MolNFT v1 · #71354 · protein
Structure of a bipyridine-modified pna duplex
3MBU · Bipyridine-pna: “Structure of a bipyridine-modified pna duplex”. X-ray diffraction, 6 ligands (GPN, CPN, APN). MolNFT v1 #71354 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3MBU
- Type
- protein
- Length
- 4 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bipyridine-pna
- Ligands
- GPN, CPN, APN, KPN, TPN, CO3
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Bipyridine-pna | protein | 1 | 0% helix, 0% strand | — |
Ligands and binding sites
- GPN · 2-aminoethylglycine-carbonylmethylene-guanine · ligand · 12 copies
- CPN · 2-aminoethylglycine-carbonylmethylene-cytosine · ligand · 12 copies · chains A, B, C, D
- APN · 2-aminoethylglycine-carbonylmethylene-adenine · ligand · 4 copies
- KPN · N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine · ligand · 4 copies · chains C
- TPN · 2-aminoethylglycine-carbonylmethylene-thymine · ligand · 4 copies
- CO3 · Carbonate ion · ion · 2 copies
- PGR · R-1,2-propanediol · additive · 3 copies
- GOL · Glycerol · additive · 2 copies
- PGO · S-1,2-propanediol · additive · 2 copies
- EDO · 1,2-ethanediol · additive
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Modifications
Observed in the structure: 4 covalent (covalent ligand).
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 3MBU · PDBe 3MBU
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