MolNFT v1 · #71684 · protein
2OUF-ds, a disulfide-linked dimer of helicobacter pylori protein HP0242
3MLI · Putative uncharacterized protein: “2OUF-ds, a disulfide-linked dimer of helicobacter pylori protein HP0242”. X-ray diffraction, 1 ligand (CA), 5 pockets (best druggability 0.53). MolNFT v1 #71684 on GenesisL1: 3D structure, binding…
- PDB
- 3MLI
- Type
- protein
- Length
- 359 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein
- UniProt
- O25025
- Ligands
- CA
- Pockets
- 5 · best druggability 0.53
Structure
x-ray diffraction · 4 distinct chains · 81% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative uncharacterized protein | protein | 91 | 78% helix, 0% strand | O25025 |
| B | Putative uncharacterized protein | protein | 85 | 87% helix, 0% strand | O25025 |
| C | Putative uncharacterized protein | protein | 89 | 81% helix, 0% strand | O25025 |
| D | Putative uncharacterized protein | protein | 94 | 78% helix, 0% strand | O25025 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 225 | 0.53 | 0.76 | 26 | empty |
| 2 | 141 | 0.44 | 0.75 | 21 | empty |
| 3 | 107 | 0.39 | 0.75 | 21 | empty |
| 4 | 63 | 0.32 | 0.75 | 13 | empty |
| 5 | 52 | 0.25 | 0.73 | 14 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1899 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 1850 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 506 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3MLI · 2ouf-ds, a disulfide-linked dimer of Helicobacter pylori protein HP0242 · 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 O25025
- Elsewhere: RCSB PDB 3MLI · PDBe 3MLI · UniProt O25025
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