MolNFT v1 · #147977 · protein
Crystal structure of KDM4D with tetrazolhydrazide compound 5
6ETE · Lysine-specific demethylase 4D: “Crystal structure of KDM4D with tetrazolhydrazide compound 5”. X-ray diffraction, 4 ligands (BWK, NI, ZN), 2 pockets (best druggability 0.77). MolNFT v1 #147977 on GenesisL1: 3D structure, binding…
- PDB
- 6ETE
- Type
- protein
- Length
- 330 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lysine-specific demethylase 4D
- EC
- 1.14.11.-
- UniProt
- Q6B0I6
- Ligands
- BWK, NI, ZN, SO4
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lysine-specific demethylase 4D (EC 1.14.11.-) | protein | 330 | 32% helix, 26% strand | Q6B0I6 |
Ligands and binding sites
- BWK · [2-(1-methyl-1,2,3,4-tetrazol-4-ium-5-yl) ethanoylamino]azanium · ligand · chains A
- NI · Nickel (II) ion · metal · 2 copies · chains A
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 7 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 | 477 | 0.77 | 0.85 | 55 | NI, EDO, BWK |
| 2 | 89 | 0.39 | 0.77 | 26 | EDO |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6ETE · Crystal structure of KDM4D with tetrazolhydrazide compound 5 · 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 6ETE · PDBe 6ETE · UniProt Q6B0I6
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