MolNFT v1 · #134718 · protein
Tev cleaved human ATP citrate lyase bound to citrate
5TDE · ATP-citrate synthase: “Tev cleaved human ATP citrate lyase bound to citrate”. X-ray diffraction, 2 ligands (NA, 2HP), 8 pockets (best druggability 0.78). MolNFT v1 #134718 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5TDE
- Type
- protein
- Length
- 744 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-citrate synthase
- EC
- 2.3.3.8
- UniProt
- P53396
- Ligands
- NA, 2HP
- Pockets
- 8 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP-citrate synthase (EC 2.3.3.8) | protein | 420 | 38% helix, 26% strand | P53396 |
| B | ATP-citrate synthase (EC 2.3.3.8) | protein | 324 | 36% helix, 20% strand | P53396 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains A
- 2HP · Dihydrogenphosphate ion · ion · 3 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
- FLC · Citrate anion · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 777 | 0.78 | 0.82 | 83 | 2HP |
| 2 | 260 | 0.77 | 0.90 | 42 | FLC, NA, 2HP |
| 3 | 203 | 0.64 | 0.84 | 34 | empty |
| 4 | 93 | 0.58 | 0.86 | 24 | GOL |
| 5 | 75 | 0.52 | 0.85 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2280 Ų buried · 36 hydrogen bonds · protein-protein
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 P53396
- Elsewhere: RCSB PDB 5TDE · PDBe 5TDE · UniProt P53396
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.