MolNFT v1 · #38147 · protein
Crystal structure of a hydrolase from haloacid dehalogenase-like family (SP_2064) from streptococcus pneumoniae TIGR4 at 2.10 a resolution
2GO7 · Hydrolase, haloacid dehalogenase-like family: “Crystal structure of a hydrolase from haloacid dehalogenase-like family (SP_2064) from streptococcus…”. X-ray diffraction, 2 ligands (MG, CL), 2 pockets (best druggability 0.85). MolNFT…
- PDB
- 2GO7
- Type
- protein
- Length
- 814 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydrolase, haloacid dehalogenase-like family
- UniProt
- Q97NG6
- Ligands
- MG, CL
- Pockets
- 2 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 51% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydrolase, haloacid dehalogenase-like family | protein | 204 | 51% helix, 15% strand | Q97NG6 |
| B | Hydrolase, haloacid dehalogenase-like family | protein | 202 | 52% helix, 14% strand | Q97NG6 |
| C | Hydrolase, haloacid dehalogenase-like family | protein | 205 | 50% helix, 14% strand | Q97NG6 |
| D | Hydrolase, haloacid dehalogenase-like family | protein | 203 | 52% helix, 14% strand | Q97NG6 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
- CL · Chloride ion · ion · 14 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 935 | 0.85 | 0.87 | 121 | MG, CL |
| 2 | 1124 | 0.84 | 0.85 | 120 | MG, CL |
Interfaces
4 interfaces between chains.
- C–D · 1207 Ų buried · 32 hydrogen bonds · protein-protein
- A–B · 1179 Ų buried · 31 hydrogen bonds · protein-protein
- B–C · 769 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 347 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 modified (engineered).
Compared structures
- 2GO7 · Crystal structure of a hydrolase from haloacid dehalogenase-like family (SP_2064) from… · 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 Q97NG6
- Elsewhere: RCSB PDB 2GO7 · PDBe 2GO7 · UniProt Q97NG6
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