MolNFT v1 · #56889 · protein
Crystal structure of kaic-like protein PH0186 from hyperthermophilic archaea pyrococcus horikoshii OT3
2ZTS · Putative uncharacterized protein PH0186: “Crystal structure of kaic-like protein PH0186 from hyperthermophilic archaea pyrococcus horikoshii OT3”. X-ray diffraction, 2 ligands (ADP, MG), 10 pockets (best druggability 0.78). MolNFT…
- PDB
- 2ZTS
- Type
- protein
- Length
- 658 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein PH0186
- UniProt
- O57925
- Ligands
- ADP, MG
- Pockets
- 10 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative uncharacterized protein PH0186 | protein | 216 | 36% helix, 28% strand | O57925 |
| C | Putative uncharacterized protein PH0186 | protein | 226 | 34% helix, 26% strand | O57925 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 3 copies · chains A, B, C
- MG · Magnesium ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 284 | 0.78 | 0.90 | 47 | ADP, MG |
| 2 | 328 | 0.75 | 0.87 | 46 | ADP, MG |
| 3 | 347 | 0.60 | 0.77 | 50 | empty |
| 4 | 161 | 0.46 | 0.76 | 28 | empty |
| 5 | 70 | 0.40 | 0.80 | 16 | empty |
Interfaces
2 interfaces between chains.
- B–C · 1223 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1216 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 2ZTS · Crystal structure of KaiC-like protein PH0186 from hyperthermophilic archaea Pyrococcus… · 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 O57925
- Elsewhere: RCSB PDB 2ZTS · PDBe 2ZTS · UniProt O57925
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