MolNFT v1 · #93590 · protein
Crystal structure of haloalkane dehalogenase linb from sphingobium sp. MI1205
4H77: “Crystal structure of haloalkane dehalogenase linb from sphingobium sp. MI1205”. X-ray diffraction, 2 ligands (CA, CL), 2 pockets (best druggability 0.74). MolNFT v1 #93590 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4H77
- 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
- A4PEU6
- Ligands
- CA, CL
- Pockets
- 2 · best druggability 0.74
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 | A4PEU6 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 3 copies · 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 | 64 | 0.74 | 0.98 | 18 | CL |
| 2 | 50 | 0.33 | 0.78 | 13 | empty |
Compared structures
- 4H77 · Crystal structure of haloalkane dehalogenase LinB from Sphingobium sp. MI1205 · 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 A4PEU6
- Elsewhere: RCSB PDB 4H77 · PDBe 4H77 · UniProt A4PEU6
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