Research workbench
Copper-bound M88I variant of campylobacter jejuni P19
Analyse Copper-bound M88I variant of campylobacter jejuni P19 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6WEE
- Type
- protein
- Length
- 946 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- A0A0H3PA01
- Ligands
- CU, SO4
- Pockets
- 6 · best druggability 0.88
Structure
x-ray diffraction · 4 distinct chains · 4% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 157 | 4% helix, 48% strand | A0A0H3PA01 |
| B, D, E | Uncharacterized protein | protein | 159 | 4% helix, 50% strand | A0A0H3PA01 |
| C | Uncharacterized protein | protein | 158 | 4% helix, 51% strand | A0A0H3PA01 |
| F | Uncharacterized protein | protein | 154 | 5% helix, 48% strand | A0A0H3PA01 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 6 copies · chains A, B, C, D, E, F
- SO4 · Sulfate ion · ion · chains D
- GOL · Glycerol · additive · 5 copies · chains A, B, C, E, D, F
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 886 | 0.88 | 0.90 | 112 | empty |
| 2 | 173 | 0.68 | 0.87 | 28 | empty |
| 3 | 227 | 0.65 | 0.84 | 37 | empty |
| 4 | 80 | 0.61 | 0.90 | 20 | empty |
| 5 | 84 | 0.42 | 0.79 | 16 | empty |
Interfaces
10 interfaces between chains.
- A–B · 1719 Ų buried · 27 hydrogen bonds · protein-protein
- C–D · 1712 Ų buried · 22 hydrogen bonds · protein-protein
- E–F · 1664 Ų buried · 27 hydrogen bonds · protein-protein
- A–F · 655 Ų buried · 5 hydrogen bonds · protein-protein
- B–E · 532 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6WEE · Copper-bound M88I variant of Campylobacter jejuni P19 · the same entry in another collection · chain D against D, 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 6WEE · PDBe 6WEE · UniProt A0A0H3PA01
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