MolNFT v1 · #184307 · protein
Dioxygenase asqj mutant (V72I) in complex with 2B-O-O and tris
7OLM · IRON/ALPHA-ketoglutarate-dependent dioxygenase asqj: “Dioxygenase asqj mutant (V72I) in complex with 2B-O-O and tris”. X-ray diffraction, 4 ligands (VJQ, NI, BR), 3 pockets (best druggability 0.73). MolNFT v1 #184307 on GenesisL1…
- PDB
- 7OLM
- Type
- protein
- Length
- 288 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
- VJQ, NI, BR, CL
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | IRON/ALPHA-ketoglutarate-dependent dioxygenase asqj (EC 1.14.-.-) | protein | 288 | 25% helix, 20% strand | Q5AR53 |
Ligands and binding sites
- VJQ · 3-[(S)-dioxidanyl(phenyl)methyl]-4-methyl-2-oxidanyl-1H-1,4-benzodiazepin-5-one · 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 | 444 | 0.73 | 0.83 | 50 | NI, VJQ, TRS, BR, CL |
| 2 | 161 | 0.54 | 0.80 | 26 | empty |
| 3 | 64 | 0.30 | 0.74 | 15 | empty |
Compared structures
- 7OLM · Dioxygenase AsqJ mutant (V72I) in complex with 2b-O-O and Tris · the same entry in another collection · chain A against A, TM-score 1.00
- Q5AR53 · AlphaFold monomer V2.0 prediction for IRON/ALPHA-ketoglutarate- dependent dioxygenase… · a predicted model of the same protein · 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 Q5AR53
- Elsewhere: RCSB PDB 7OLM · PDBe 7OLM · UniProt Q5AR53
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