MolNFT v1 · #183137 · protein
Crystal structure of haloalkane dehalogenase LINB57 mutant (H272F) from sphingobium japonicum UT26
7NFZ: “Crystal structure of haloalkane dehalogenase LINB57 mutant (H272F) from sphingobium japonicum UT26”. X-ray diffraction, 2 ligands (K, PO4), 2 pockets (best druggability 0.81). MolNFT v1 #183137 on GenesisL1: 3D structure, binding…
- PDB
- 7NFZ
- Type
- protein
- Length
- 294 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Haloalkane dehalogenase
- EC
- 3.8.1.5
- UniProt
- D4Z2G1
- Ligands
- K, PO4
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Haloalkane dehalogenase (EC 3.8.1.5) | protein | 294 | 44% helix, 20% strand | D4Z2G1 |
Ligands and binding sites
- K · Potassium ion · metal · chains A
- PO4 · Phosphate ion · ion · chains A
- CXS · 3-cyclohexyl-1-propylsulfonic acid · additive · 4 copies · chains A
- GOL · Glycerol · additive · 3 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
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 | 285 | 0.81 | 0.92 | 39 | CXS, TRS, PO4 |
| 2 | 50 | 0.34 | 0.79 | 15 | empty |
Compared structures
- 7NFZ · Crystal structure of haloalkane dehalogenase LinB57 mutant (H272F) from Sphingobium… · the same entry in another collection · chain A against A, TM-score 1.00
- D4Z2G1 · AlphaFold monomer V2.0 prediction for haloalkane dehalogenase (D4Z2G1) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 D4Z2G1
- Elsewhere: RCSB PDB 7NFZ · PDBe 7NFZ · UniProt D4Z2G1
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