MolNFT v1 · #154195 · protein
Binding pose 2 of 2-CF3 bound asqj complex
6K30 · IRON/ALPHA-ketoglutarate-dependent dioxygenase asqj: “Binding pose 2 of 2-CF3 bound asqj complex”. X-ray diffraction, 2 ligands (CV3, FE), 3 pockets (best druggability 0.72). MolNFT v1 #154195 on GenesisL1: 3D structure, binding…
- PDB
- 6K30
- 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
- CV3, FE
- 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 |
|---|---|---|---|---|---|
| B | IRON/ALPHA-ketoglutarate-dependent dioxygenase asqj (EC 1.14.-.-) | protein | 287 | 25% helix, 21% strand | Q5AR53 |
Ligands and binding sites
- CV3 · (3~{Z})-4-methyl-3-[[4-(trifluoromethyl) phenyl]methylidene]-1~{H}-1,4-benzodiazepine-2,5-dione · ligand · chains B
- FE · Fe (III) ion · metal · chains B
- SIN · Succinic acid · additive · chains B
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 | 453 | 0.72 | 0.82 | 45 | FE, CV3, SIN |
| 2 | 199 | 0.55 | 0.79 | 28 | empty |
| 3 | 54 | 0.32 | 0.76 | 13 | 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 6K30 · PDBe 6K30 · UniProt Q5AR53
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