MolNFT v1 · #88822 · protein
Crystal structure of human JMJD2D in complex with N-oxalylglycine and bound 5,6-dimethylbenzimidazole
4D6S · Lysine-specific demethylase 4D: “Crystal structure of human JMJD2D in complex with N-oxalylglycine and bound 5,6-dimethylbenzimidazole”. X-ray diffraction, 5 ligands (DMD, OGA, ZN), 3 pockets (best druggability 0.76). MolNFT v1…
- PDB
- 4D6S
- Type
- protein
- Length
- 327 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lysine-specific demethylase 4D
- UniProt
- Q6B0I6
- Ligands
- DMD, OGA, ZN, NI, SO4
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lysine-specific demethylase 4D | protein | 327 | 31% helix, 25% strand | Q6B0I6 |
Ligands and binding sites
- DMD · 5,6-dimethylbenzimidazole · ligand · chains A
- OGA · N-oxalylglycine · ligand · chains A
- ZN · Zinc ion · metal · chains A
- NI · Nickel (II) ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 10 copies · chains A
- DMS · Dimethyl sulfoxide · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 427 | 0.76 | 0.85 | 52 | NI, OGA, EDO |
| 2 | 68 | 0.47 | 0.83 | 19 | DMD |
| 3 | 73 | 0.34 | 0.76 | 24 | EDO |
Compared structures
- 4D6S · crystal structure of human JMJD2D in complex with N-OXALYLGLYCINE and bound… · 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 4D6S · PDBe 4D6S · UniProt Q6B0I6
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