MolNFT v1 · #189930 · protein
A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates
7W5S · Nonheme iron and alpha-ketoglutarate dependent halogenase: “A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates”. X-ray diffraction, 3 ligands (FE2, SO4, CL), 1 pocket (best…
- PDB
- 7W5S
- Type
- protein
- Length
- 302 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nonheme iron and alpha-ketoglutarate dependent halogenase
- UniProt
- A0A1U8X168
- Ligands
- FE2, SO4, CL
- Pockets
- 1 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nonheme iron and alpha-ketoglutarate dependent halogenase | protein | 302 | 31% helix, 27% strand | A0A1U8X168 |
Ligands and binding sites
- FE2 · Fe (II) ion · metal · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- CL · Chloride ion · ion · chains A
- PEG · Di(hydroxyethyl)ether · additive · 7 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 | 407 | 0.70 | 0.81 | 60 | FE2, CL |
Compared structures
- 7W5S · A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide… · 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 A0A1U8X168
- Elsewhere: RCSB PDB 7W5S · PDBe 7W5S · UniProt A0A1U8X168
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