Research workbench
Crystal structure of a putative haloacid dehalogenase-like hydrolase (BXE_B1342) from burkholderia xenovorans LB400 at 2.20 a resolution
Analyse Crystal structure of a putative haloacid dehalogenase-like hydrolase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2P11
- Type
- protein
- Length
- 434 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein
- UniProt
- Q13MR9
- Ligands
- CL
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 55% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein | protein | 219 | 55% helix, 15% strand | Q13MR9 |
| B | Hypothetical protein | protein | 215 | 55% helix, 17% strand | Q13MR9 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 242 | 0.74 | 0.88 | 48 | GOL |
| 2 | 77 | 0.68 | 0.94 | 21 | empty |
| 3 | 73 | 0.33 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1346 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 2P11 · Crystal structure of a putative haloacid dehalogenase-like hydrolase (BXE_B1342) 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 Q13MR9
- Elsewhere: RCSB PDB 2P11 · PDBe 2P11 · UniProt Q13MR9
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