MolNFT v1 · #135949 · protein
The crystal structure of MUNC13-1 C1C2BMUN domain
5UE8 · Protein unc-13 homolog a: “The crystal structure of MUNC13-1 C1C2BMUN domain”. X-ray diffraction, 2 ligands (ZN, CL), 15 pockets (best druggability 0.77). MolNFT v1 #135949 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5UE8
- Type
- protein
- Length
- 1,685 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein unc-13 homolog a
- UniProt
- Q62768
- Ligands
- ZN, CL
- Pockets
- 15 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 61% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein unc-13 homolog a | protein | 847 | 60% helix, 9% strand | Q62768 |
| B | Protein unc-13 homolog a | protein | 838 | 62% helix, 9% strand | Q62768 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 834 | 0.77 | 0.81 | 90 | empty |
| 2 | 602 | 0.75 | 0.82 | 55 | empty |
| 3 | 994 | 0.71 | 0.75 | 76 | empty |
| 4 | 133 | 0.66 | 0.87 | 21 | empty |
| 5 | 144 | 0.61 | 0.84 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 220 Ų buried · 1 hydrogen bond · 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 Q62768
- Elsewhere: RCSB PDB 5UE8 · PDBe 5UE8 · UniProt Q62768
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