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Crystal structure of utx complexed with gsk-J1
Analyse Crystal structure of utx complexed with gsk-J1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6G8F
- Type
- protein
- Length
- 475 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lysine-specific demethylase 6A
- EC
- 1.14.11.-
- UniProt
- O15550
- Ligands
- K0I, MN, ZN, CL
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lysine-specific demethylase 6A (EC 1.14.11.-) | protein | 475 | 35% helix, 22% strand | O15550 |
Ligands and binding sites
- K0I · 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid · ligand · chains A
- MN · Manganese (II) ion · metal · chains A
- ZN · Zinc ion · metal · chains A
- CL · Chloride ion · ion · chains A
- DMS · Dimethyl sulfoxide · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 538 | 0.71 | 0.80 | 48 | MN, K0I, DMS |
| 2 | 520 | 0.68 | 0.78 | 46 | empty |
| 3 | 65 | 0.45 | 0.83 | 18 | empty |
| 4 | 84 | 0.39 | 0.77 | 20 | empty |
| 5 | 55 | 0.29 | 0.75 | 11 | 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 O15550
- Elsewhere: RCSB PDB 6G8F · PDBe 6G8F · UniProt O15550
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