MolNFT v1 · #162244 · protein
T. brucei fpps in complex with 2-(5-CHLOROBENZO[B]THIOPHEN-3-YL)ACETIC acid
6R37 · Farnesyl pyrophosphate synthase: “T. brucei fpps in complex with 2-(5-CHLOROBENZO[B]THIOPHEN-3-YL)ACETIC acid”. X-ray diffraction, 1 ligand (3N2), 2 pockets (best druggability 0.66). MolNFT v1 #162244 on GenesisL1: 3D structure…
- PDB
- 6R37
- Type
- protein
- Length
- 329 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Farnesyl pyrophosphate synthase
- UniProt
- Q86C09
- Ligands
- 3N2
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Farnesyl pyrophosphate synthase | protein | 329 | 78% helix, 0% strand | Q86C09 |
Ligands and binding sites
- 3N2 · (5-chloro-1-benzothiophen-3-yl)acetic acid · ligand · chains A
- DMS · Dimethyl sulfoxide · additive · 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 | 567 | 0.66 | 0.76 | 53 | 3N2, DMS |
| 2 | 53 | 0.32 | 0.77 | 12 | empty |
Compared structures
- 6R37 · T. brucei FPPS in complex with 2-(5-chlorobenzo[b]thiophen-3-yl)acetic 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 6R37 · PDBe 6R37 · UniProt Q86C09
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