MolNFT v1 · #184305 · protein
Dioxygenase asqj in complex with 2B and tris
7OLK · IRON/ALPHA-ketoglutarate-dependent dioxygenase asqj: “Dioxygenase asqj in complex with 2B and tris”. X-ray diffraction, 4 ligands (CO0, NI, BR), 3 pockets (best druggability 0.72). MolNFT v1 #184305 on GenesisL1: 3D structure…
- PDB
- 7OLK
- Type
- protein
- Length
- 287 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- IRON/ALPHA-ketoglutarate-dependent dioxygenase asqj
- EC
- 1.14.-.-
- UniProt
- Q5AR53
- Ligands
- CO0, NI, BR, CL
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | IRON/ALPHA-ketoglutarate-dependent dioxygenase asqj (EC 1.14.-.-) | protein | 287 | 25% helix, 21% strand | Q5AR53 |
Ligands and binding sites
- CO0 · (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione · ligand · chains A
- NI · Nickel (II) ion · metal · chains A
- BR · Bromide ion · ion · chains A
- CL · Chloride ion · ion · 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
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 427 | 0.72 | 0.82 | 51 | NI, CO0, TRS, BR, CL |
| 2 | 154 | 0.53 | 0.80 | 22 | empty |
| 3 | 62 | 0.31 | 0.75 | 14 | empty |
Compared structures
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 Q5AR53
- Elsewhere: RCSB PDB 7OLK · PDBe 7OLK · UniProt Q5AR53
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