MolNFT v1 · #107524 · protein
Fragment bound to H.INFLUENZA NAD dependent DNA ligase
4UCT: “Fragment bound to H.INFLUENZA NAD dependent DNA ligase”. X-ray diffraction, 2 ligands (IWH, 5U1), 3 pockets (best druggability 0.75). MolNFT v1 #107524 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4UCT
- Type
- protein
- Length
- 318 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA ligase
- EC
- 6.5.1.2
- UniProt
- P43813
- Ligands
- IWH, 5U1
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA ligase (EC 6.5.1.2) | protein | 318 | 39% helix, 20% strand | P43813 |
Ligands and binding sites
- IWH · 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide · ligand · chains A
- 5U1 · 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium · ligand · 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 | 1071 | 0.75 | 0.78 | 65 | 5U1 |
| 2 | 214 | 0.48 | 0.75 | 33 | empty |
| 3 | 113 | 0.44 | 0.77 | 23 | IWH |
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 P43813
- Elsewhere: RCSB PDB 4UCT · PDBe 4UCT · UniProt P43813
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