MolNFT v1 · #17086 · protein
Crystal structure of AF2198, a JAB1/MPN domain protein from archaeoglobus fulgidus
1OI0 · Hypothetical protein AF2198: “Crystal structure of AF2198, a JAB1/MPN domain protein from archaeoglobus fulgidus”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.62). MolNFT v1 #17086 on GenesisL1: 3D structure…
- PDB
- 1OI0
- Type
- protein
- Length
- 426 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein AF2198
- UniProt
- O28085
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.62
Structure
x-ray diffraction · 4 distinct chains · 21% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein AF2198 | protein | 108 | 21% helix, 35% strand | O28085 |
| B | Hypothetical protein AF2198 | protein | 106 | 22% helix, 38% strand | O28085 |
| C | Hypothetical protein AF2198 | protein | 104 | 22% helix, 38% strand | O28085 |
| D | Hypothetical protein AF2198 | protein | 108 | 19% helix, 37% strand | O28085 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
- 144 · Tris-hydroxymethyl-methyl-ammonium · additive · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 336 | 0.62 | 0.79 | 41 | empty |
| 2 | 51 | 0.28 | 0.75 | 13 | empty |
| 3 | 50 | 0.27 | 0.74 | 15 | empty |
Interfaces
4 interfaces between chains.
- A–B · 783 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 730 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 548 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 73 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1OI0 · Crystal structure of AF2198, a JAB1/MPN domain protein from archaeoglobus fulgidus · the same entry in another collection · chain A against A, 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 O28085
- Elsewhere: RCSB PDB 1OI0 · PDBe 1OI0 · UniProt O28085
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