MolNFT v1 · #59024 · protein
Synthetic gene encoded dcps bound to inhibitor DG156844
3BL7 · Scavenger mRNA-decapping enzyme dcps: “Synthetic gene encoded dcps bound to inhibitor DG156844”. X-ray diffraction, 1 ligand (DD1), 6 pockets (best druggability 0.84). MolNFT v1 #59024 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3BL7
- Type
- protein
- Length
- 575 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Scavenger mRNA-decapping enzyme dcps
- EC
- 3.-.-.-
- UniProt
- Q96C86
- Ligands
- DD1
- Pockets
- 6 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Scavenger mRNA-decapping enzyme dcps (EC 3.-.-.-) | protein | 286 | 32% helix, 30% strand | Q96C86 |
| B | Scavenger mRNA-decapping enzyme dcps (EC 3.-.-.-) | protein | 289 | 31% helix, 29% strand | Q96C86 |
Ligands and binding sites
- DD1 · 5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1112 | 0.84 | 0.85 | 122 | DD1 |
| 2 | 179 | 0.80 | 0.96 | 28 | empty |
| 3 | 173 | 0.47 | 0.76 | 22 | empty |
| 4 | 117 | 0.47 | 0.79 | 18 | empty |
| 5 | 54 | 0.35 | 0.79 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 4617 Ų buried · 67 hydrogen bonds · protein-protein
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 Q96C86
- Elsewhere: RCSB PDB 3BL7 · PDBe 3BL7 · UniProt Q96C86
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