MolNFT v1 · #46510 · protein
Structure of an enterococcus faecalis hd domain phosphohydrolase
2O6I · Hd domain protein: “Structure of an enterococcus faecalis hd domain phosphohydrolase”. X-ray diffraction, 2 ligands (ZN, CL), 7 pockets (best druggability 0.71). MolNFT v1 #46510 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2O6I
- Type
- protein
- Length
- 866 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hd domain protein
- UniProt
- Q836G9
- Ligands
- ZN, CL
- Pockets
- 7 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 56% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hd domain protein | protein | 436 | 56% helix, 12% strand | Q836G9 |
| B | Hd domain protein | protein | 430 | 56% helix, 11% strand | Q836G9 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- HED · 2-hydroxyethyl disulfide · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 675 | 0.71 | 0.78 | 48 | CL |
| 2 | 663 | 0.71 | 0.78 | 61 | empty |
| 3 | 530 | 0.69 | 0.79 | 40 | CL |
| 4 | 578 | 0.68 | 0.77 | 63 | empty |
| 5 | 156 | 0.55 | 0.81 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 1068 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 2O6I · Structure of an Enterococcus Faecalis HD Domain Phosphohydrolase · 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 Q836G9
- Elsewhere: RCSB PDB 2O6I · PDBe 2O6I · UniProt Q836G9
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