Research workbench
Crystal structure of pyrococcus furiosus PCC1 in complex with thermoplasma acidophilum KAE1
Analyse Crystal structure of pyrococcus furiosus PCC1 in complex with thermoplasma… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ENO
- Type
- protein
- Length
- 966 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative O-sialoglycoprotein endopeptidase; Uncharacterized protein PF2011
- EC
- 3.4.24.57
- UniProt
- Q9HLA5, Q8TZI1
- Ligands
- MG
- Pockets
- 8 · best druggability 0.83
Structure
x-ray diffraction · 5 distinct chains · 46% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative O-sialoglycoprotein endopeptidase (EC 3.4.24.57) | protein | 329 | 45% helix, 18% strand | Q9HLA5 |
| B | Putative O-sialoglycoprotein endopeptidase (EC 3.4.24.57) | protein | 328 | 45% helix, 17% strand | Q9HLA5 |
| C, E | Uncharacterized protein PF2011 | protein | 77 | 51% helix, 29% strand | Q8TZI1 |
| D | Uncharacterized protein PF2011 | protein | 76 | 50% helix, 30% strand | Q8TZI1 |
| F | Uncharacterized protein PF2011 | protein | 79 | 49% helix, 29% strand | Q8TZI1 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 930 | 0.83 | 0.85 | 101 | empty |
| 2 | 714 | 0.79 | 0.83 | 65 | MG |
| 3 | 169 | 0.70 | 0.88 | 29 | empty |
| 4 | 289 | 0.66 | 0.82 | 35 | empty |
| 5 | 97 | 0.37 | 0.75 | 17 | empty |
Interfaces
11 interfaces between chains.
- E–F · 1014 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 897 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 865 Ų buried · 5 hydrogen bonds · protein-protein
- B–F · 858 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 510 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3ENO · Crystal structure of Pyrococcus furiosus Pcc1 in complex with Thermoplasma acidophilum… · the same entry in another collection · chain F against F, TM-score 1.00
- Q9HLA5 · AlphaFold monomer V2.0 prediction for probable bifunctional tRNA… · a predicted model of the same protein · chain B against A, TM-score 0.98
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 Q9HLA5
- Every structure of UniProt Q8TZI1
- Elsewhere: RCSB PDB 3ENO · PDBe 3ENO · UniProt Q9HLA5 · UniProt Q8TZI1
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