MolNFT v1 · #98699 · protein
Crystal structure of a liga inhibitor
4LH6 · DNA ligase: “Crystal structure of a liga inhibitor”. X-ray diffraction, 3 ligands (1X7, NMN, NA), 3 pockets (best druggability 0.68). MolNFT v1 #98699 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4LH6
- Type
- protein
- Length
- 322 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA ligase
- EC
- 6.5.1.2
- UniProt
- Q837V6
- Ligands
- 1X7, NMN, NA
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA ligase (EC 6.5.1.2) | protein | 322 | 42% helix, 21% strand | Q837V6 |
Ligands and binding sites
- 1X7 · 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide · ligand · chains A
- NMN · Beta-nicotinamide ribose monophosphate · ligand · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 287 | 0.68 | 0.83 | 44 | 1X7 |
| 2 | 108 | 0.40 | 0.76 | 26 | empty |
| 3 | 61 | 0.31 | 0.76 | 16 | 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 Q837V6
- Elsewhere: RCSB PDB 4LH6 · PDBe 4LH6 · UniProt Q837V6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.