MolNFT v1 · #173224 · protein
L-2-haloacid dehalogenase H190A mutant from zobellia galactanivorans
7ASZ · (S)-2-haloacid dehalogenase: “L-2-haloacid dehalogenase H190A mutant from zobellia galactanivorans”. X-ray diffraction, 2 ligands (PO4, SCN), 3 pockets (best druggability 0.70). MolNFT v1 #173224 on GenesisL1: 3D structure, binding…
- PDB
- 7ASZ
- Type
- protein
- Length
- 443 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- (S)-2-haloacid dehalogenase
- EC
- 3.8.1.2
- UniProt
- G0L7V6
- Ligands
- PO4, SCN
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | (S)-2-haloacid dehalogenase (EC 3.8.1.2) | protein | 223 | 51% helix, 13% strand | G0L7V6 |
| B | (S)-2-haloacid dehalogenase (EC 3.8.1.2) | protein | 220 | 53% helix, 13% strand | G0L7V6 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- SCN · Thiocyanate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 435 | 0.70 | 0.81 | 45 | empty |
| 2 | 98 | 0.48 | 0.81 | 20 | empty |
| 3 | 81 | 0.44 | 0.80 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1718 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 7ASZ · L-2-haloacid dehalogenase H190A mutant from Zobellia galactanivorans · 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 G0L7V6
- Elsewhere: RCSB PDB 7ASZ · PDBe 7ASZ · UniProt G0L7V6
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