MolNFT v1 · #107519 · protein
Fragment bound to H.INFLUENZA NAD dependent DNA ligase
4UCO: “Fragment bound to H.INFLUENZA NAD dependent DNA ligase”. X-ray diffraction, 2 ligands (D41, IWH), 3 pockets (best druggability 0.76). MolNFT v1 #107519 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4UCO
- Type
- protein
- Length
- 317 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
- D41, IWH
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA ligase (EC 6.5.1.2) | protein | 317 | 38% helix, 21% strand | P43813 |
Ligands and binding sites
- D41 · 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide · ligand · chains A
- IWH · 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide · 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 | 1145 | 0.76 | 0.78 | 82 | D41 |
| 2 | 123 | 0.43 | 0.77 | 23 | IWH |
| 3 | 167 | 0.43 | 0.74 | 31 | 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 P43813
- Elsewhere: RCSB PDB 4UCO · PDBe 4UCO · UniProt P43813
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