MolNFT v1 · #168376 · protein
Copper-bound D92H variant of campylobacter jejuni P19
6WEF · Uncharacterized protein: “Copper-bound D92H variant of campylobacter jejuni P19”. X-ray diffraction, 2 ligands (CU, SO4), 15 pockets (best druggability 0.87). MolNFT v1 #168376 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6WEF
- Type
- protein
- Length
- 1,901 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- A0A0H3PA01
- Ligands
- CU, SO4
- Pockets
- 15 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, A, E, F, G, I, K | Uncharacterized protein | protein | 158 | 4% helix, 49% strand | A0A0H3PA01 |
| D, B, H, J, L | Uncharacterized protein | protein | 159 | 4% helix, 48% strand | A0A0H3PA01 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 12 copies · chains C, D, A, B, E, F, G, H, I, J, K, L
- SO4 · Sulfate ion · ion · 11 copies · chains D, C, A, B, E, F, G, I, J, L
- GOL · Glycerol · additive · 4 copies · chains B, G, A, H, K, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1100 | 0.87 | 0.89 | 111 | empty |
| 2 | 717 | 0.87 | 0.90 | 87 | GOL |
| 3 | 982 | 0.81 | 0.83 | 108 | SO4 |
| 4 | 354 | 0.79 | 0.89 | 51 | GOL |
| 5 | 411 | 0.66 | 0.80 | 56 | empty |
Interfaces
26 interfaces between chains.
- K–L · 1744 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 1729 Ų buried · 25 hydrogen bonds · protein-protein
- G–H · 1713 Ų buried · 26 hydrogen bonds · protein-protein
- I–J · 1704 Ų buried · 26 hydrogen bonds · protein-protein
- E–F · 1703 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 6WEF · Copper-bound D92H variant of Campylobacter jejuni P19 · the same entry in another collection · chain C against C, TM-score 1.00
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 A0A0H3PA01
- Elsewhere: RCSB PDB 6WEF · PDBe 6WEF · UniProt A0A0H3PA01
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.