MolNFT v1 · #162147 · protein

T. cruzi fpps in complex with 2-(4-((1H-indol-3-YL)METHYL)PIPERAZIN-1- YL)BENZO[D]THIAZOLE

6R09 · Farnesyl diphosphate synthase: “T. cruzi fpps in complex with 2-(4-((1H-indol-3-YL)METHYL)PIPERAZIN-1- YL)BENZO[D]THIAZOLE”. X-ray diffraction, 3 ligands (JMK, ZN, SO4), 2 pockets (best druggability 0.77). MolNFT v1 #162147 on…

PDB: 6R09
Type: protein
Length: 359 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Farnesyl diphosphate synthase
UniProt: Q8WS26
Ligands: JMK, ZN, SO4
Pockets: 2 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Farnesyl diphosphate synthase	protein	359	73% helix, 2% strand	Q8WS26

Ligands and binding sites

JMK · 2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole · ligand · chains A
ZN · Zinc ion · metal · 2 copies · chains A
SO4 · Sulfate ion · ion · 2 copies · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	638	0.77	0.82	61	ZN, SO4
2	56	0.27	0.73	12	empty

Compared structures

6R09 · T. cruzi FPPS in complex with 2-(4-((1H-indol-3-yl)methyl)piperazin-1-yl)benzo[d]thiazole · 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 Q8WS26
Elsewhere: RCSB PDB 6R09 · PDBe 6R09 · UniProt Q8WS26

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