Research workbench
Crystal structure of human KDM4D in complex with 3-4-methylthiophen-2- yl methylaminopyridine-4-carboxylic acid
Analyse Crystal structure of human KDM4D in complex with 3-4-methylthiophen-2- yl… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5FP7
- Type
- protein
- Length
- 330 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lysine-specific demethylase 4D
- UniProt
- Q6B0I6
- Ligands
- YC8, ZN, FE2, SO4
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lysine-specific demethylase 4D | protein | 330 | 33% helix, 26% strand | Q6B0I6 |
Ligands and binding sites
- YC8 · 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid · ligand · chains A
- ZN · Zinc ion · metal · chains A
- FE2 · Fe (II) ion · metal · chains A
- SO4 · Sulfate ion · ion · 7 copies · chains A
- GOL · Glycerol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 484 | 0.76 | 0.84 | 61 | FE2, YC8, SO4 |
| 2 | 65 | 0.33 | 0.76 | 22 | GOL |
Compared structures
- 5FP7 · Crystal structure of human KDM4D in complex with 3-4-methylthiophen-2- yl… · 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 Q6B0I6
- Elsewhere: RCSB PDB 5FP7 · PDBe 5FP7 · UniProt Q6B0I6
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