MolNFT v1 · #12087 · protein
Complex of hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis with UT26 2-bromo-2-propene-1-ol at 1.8A resolution
1K63 · 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase: “Complex of hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis with UT26…”. X-ray diffraction, 4 ligands (BRP, MG, BR), 1 pocket (best druggability 0.74). MolNFT…
- PDB
- 1K63
- Type
- protein
- Length
- 295 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
- 3.8.1.5
- UniProt
- P51698
- Ligands
- BRP, MG, BR, CL
- Pockets
- 1 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase (EC 3.8.1.5) | protein | 295 | 44% helix, 19% strand | P51698 |
Ligands and binding sites
- BRP · 2-bromo-2-propene-1-ol · ligand · 2 copies · chains A
- MG · Magnesium ion · metal · 3 copies · chains A
- BR · Bromide ion · ion · 2 copies · chains A
- CL · Chloride ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 67 | 0.74 | 0.98 | 18 | BR, CL, BRP |
Compared structures
- 1K63 · Complex of hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis with… · 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 1K63 · PDBe 1K63 · UniProt P51698
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