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T. cruzi fpps in complex with 1-methyl-5-(4,5,6,7-TETRAHYDROTHIENO[3, 2-C]PYRIDINE-5-CARBONYL)PYRIDIN-2(1H)-one

Analyse T. cruzi fpps in complex with 1-methyl-5-(4,5,6,7-TETRAHYDROTHIENO[3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6SI5
Type: protein
Length: 354 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Farnesyl diphosphate synthase
UniProt: Q8WS26
Ligands: LEQ, SO4
Pockets: 2 · best druggability 0.75

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Farnesyl diphosphate synthase	protein	354	74% helix, 1% strand	Q8WS26

Ligands and binding sites

LEQ · 5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one · ligand · 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	791	0.75	0.80	67	LEQ, SO4
2	52	0.26	0.73	13	empty

Compared structures

6SI5 · T. cruzi FPPS in complex with 1-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbon… · 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 6SI5 · PDBe 6SI5 · UniProt Q8WS26

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