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T. cruzi fpps in complex with 3-((4-(BENZO[D]THIAZOL-2-YL)PIPERAZIN-1- YL)METHYL)-1H-indol-5-ol

Analyse T. cruzi fpps in complex with 3-((4-(BENZO[D]THIAZOL-2-YL)PIPERAZIN-1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6R0A
Type: protein
Length: 358 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Farnesyl diphosphate synthase
UniProt: Q8WS26
Ligands: JMT, ZN, SO4
Pockets: 2 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 74% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Farnesyl diphosphate synthase	protein	358	74% helix, 2% strand	Q8WS26

Ligands and binding sites

JMT · 3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol · ligand · 2 copies · chains A
ZN · Zinc ion · metal · 2 copies · chains A
SO4 · Sulfate ion · ion · chains A
ACT · Acetate ion · additive

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	620	0.76	0.82	59	ZN, SO4
2	52	0.26	0.73	15	empty

Compared structures

6R0A · T. cruzi FPPS in complex with 3-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-1H-indol… · the same entry in another collection · chain A against A, TM-score 1.00

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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 6R0A · PDBe 6R0A · UniProt Q8WS26

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