MolNFT v1 · #52546 · protein
Structure of L-haloacid dehalogenase from S. tokodaii
2W43 · Hypothetical 2-haloalkanoic acid dehalogenase: “Structure of L-haloacid dehalogenase from S. tokodaii”. X-ray diffraction, 1 ligand (PO4), 2 pockets (best druggability 0.72). MolNFT v1 #52546 on GenesisL1: 3D structure, binding…
- PDB
- 2W43
- Type
- protein
- Length
- 401 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical 2-haloalkanoic acid dehalogenase
- EC
- 3.1.8.2
- UniProt
- Q96XE7
- Ligands
- PO4
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical 2-haloalkanoic acid dehalogenase (EC 3.1.8.2) | protein | 201 | 53% helix, 15% strand | Q96XE7 |
| B | Hypothetical 2-haloalkanoic acid dehalogenase (EC 3.1.8.2) | protein | 200 | 53% helix, 16% strand | Q96XE7 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 4 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 789 | 0.72 | 0.77 | 71 | MES |
| 2 | 65 | 0.34 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1197 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2W43 · Structure of L-haloacid dehalogenase from S. tokodaii · 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 Q96XE7
- Elsewhere: RCSB PDB 2W43 · PDBe 2W43 · UniProt Q96XE7
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