MolNFT v1 · #55172 · protein
Inhibitors of the herbicidal target ispd
2YC3 · 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase…: “Inhibitors of the herbicidal target ispd”. X-ray diffraction, 4 ligands (MW5, CD, NA), 2 pockets (best druggability 0.72). MolNFT v1 #55172 on GenesisL1: 3D structure…
- PDB
- 2YC3
- Type
- protein
- Length
- 219 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic
- EC
- 2.7.7.60
- UniProt
- P69834
- Ligands
- MW5, CD, NA, CU
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic (EC 2.7.7.60) | protein | 219 | 34% helix, 23% strand | P69834 |
Ligands and binding sites
- MW5 · 6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one · ligand · chains A
- CD · Cadmium ion · metal · 3 copies · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- CU · Copper (II) ion · metal · 2 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 | 98 | 0.72 | 0.94 | 21 | MW5 |
| 2 | 138 | 0.44 | 0.76 | 21 | 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 P69834
- Elsewhere: RCSB PDB 2YC3 · PDBe 2YC3 · UniProt P69834
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