MolNFT v1 · #147108 · protein
Apo form of mddef with buffer exchange
6E2S · Mevalonate diphosphate decarboxylase: “Apo form of mddef with buffer exchange”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.63). MolNFT v1 #147108 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6E2S
- Type
- protein
- Length
- 311 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mevalonate diphosphate decarboxylase
- EC
- 4.1.1.33
- UniProt
- Q9FD68
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mevalonate diphosphate decarboxylase (EC 4.1.1.33) | protein | 311 | 41% helix, 27% strand | Q9FD68 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 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 | 414 | 0.63 | 0.77 | 45 | SO4 |
| 2 | 60 | 0.43 | 0.82 | 19 | empty |
Compared structures
- 6E2S · apo form of MDDEF with buffer exchange · 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 Q9FD68
- Elsewhere: RCSB PDB 6E2S · PDBe 6E2S · UniProt Q9FD68
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