MolNFT v1 · #162246 · protein
T. brucei fpps in complex with 1-(carboxymethyl)-1H-BENZO[G]INDOLE-2- carboxylic acid
6R39 · Farnesyl pyrophosphate synthase: “T. brucei fpps in complex with 1-(carboxymethyl)-1H-BENZO[G]INDOLE-2- carboxylic acid”. X-ray diffraction, 1 ligand (BFH), 3 pockets (best druggability 0.67). MolNFT v1 #162246 on GenesisL1: 3D…
- PDB
- 6R39
- Type
- protein
- Length
- 327 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Farnesyl pyrophosphate synthase
- UniProt
- Q86C09
- Ligands
- BFH
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Farnesyl pyrophosphate synthase | protein | 327 | 80% helix, 0% strand | Q86C09 |
Ligands and binding sites
- BFH · 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid · ligand · 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 | 616 | 0.67 | 0.77 | 54 | BFH |
| 2 | 53 | 0.32 | 0.77 | 10 | empty |
| 3 | 67 | 0.32 | 0.75 | 15 | empty |
Compared structures
- 6R39 · T. brucei FPPS in complex with 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid · 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 Q86C09
- Elsewhere: RCSB PDB 6R39 · PDBe 6R39 · UniProt Q86C09
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