MolNFT v1 · #7351 · protein
Structure of 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase (linb) from sphingomonas paucimobilis complexed with 1,2-dichloropropane
1G42: “Structure of 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase (linb) from sphingomonas paucimobilis complexed…”. X-ray diffraction, 3 ligands (CP2, CA, CL), 2 pockets (best druggability 0.73). MolNFT v1 #7351 on GenesisL1: 3D…
- PDB
- 1G42
- Type
- protein
- Length
- 294 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase
- EC
- 3.8.1.-
- UniProt
- P51698
- Ligands
- CP2, CA, CL
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase (EC 3.8.1.-) | protein | 294 | 43% helix, 20% strand | P51698 |
Ligands and binding sites
- CP2 · 1,2-dichloro-propane · ligand · 3 copies · chains A
- CA · Calcium ion · metal · 3 copies · chains A
- CL · Chloride ion · ion · chains A
- ACT · Acetate ion · 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 | 65 | 0.73 | 0.97 | 19 | CL, CP2 |
| 2 | 52 | 0.36 | 0.79 | 17 | empty |
Modifications
Observed in the structure: 1 modified (methylation).
Compared structures
- 1G42 · Structure of 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase (linb) from sphingomonas… · 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 P51698
- Elsewhere: RCSB PDB 1G42 · PDBe 1G42 · UniProt P51698
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