MolNFT v1 · #188004 · protein
Crystal structure of mevalonate 3,5-bisphosphate decarboxylase from picrophilus torridus
7T71: “Crystal structure of mevalonate 3,5-bisphosphate decarboxylase from picrophilus torridus”. X-ray diffraction, 1 ligand (OLA), 8 pockets (best druggability 0.76). MolNFT v1 #188004 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7T71
- Type
- protein
- Length
- 695 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mevalonate 3,5-bisphosphate decarboxylase
- EC
- 4.1.1.110
- UniProt
- Q6L1T9
- Ligands
- OLA
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mevalonate 3,5-bisphosphate decarboxylase (EC 4.1.1.110) | protein | 348 | 43% helix, 21% strand | Q6L1T9 |
| B | Mevalonate 3,5-bisphosphate decarboxylase (EC 4.1.1.110) | protein | 347 | 43% helix, 21% strand | Q6L1T9 |
Ligands and binding sites
- OLA · Oleic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 624 | 0.76 | 0.82 | 78 | OLA |
| 2 | 99 | 0.76 | 0.97 | 30 | empty |
| 3 | 504 | 0.75 | 0.83 | 52 | empty |
| 4 | 389 | 0.59 | 0.76 | 37 | empty |
| 5 | 74 | 0.38 | 0.78 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1091 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 7T71 · Crystal Structure of Mevalonate 3,5-Bisphosphate Decarboxylase from Picrophilus Torridus · the same entry in another collection · chain A against A, TM-score 1.00
- Q6L1T9 · AlphaFold monomer V2.0 prediction for mevalonate 3,5-bisphosphate decarboxylase (Q6L1T9) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q6L1T9
- Elsewhere: RCSB PDB 7T71 · PDBe 7T71 · UniProt Q6L1T9
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