MolNFT v1 · #67188 · protein

Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with 1-(2,2-bis-phosphono-ethyl)-3-butyl-pyridinium and isopentenyl pyrophosphate

3ICZ · Farnesyl pyrophosphate synthase: “Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with…”. X-ray diffraction, 3 ligands (IPE, PB6, MG), 2 pockets (best druggability 0.80). MolNFT v1 #67188 on GenesisL1: 3D…

PDB: 3ICZ
Type: protein
Length: 362 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Farnesyl pyrophosphate synthase
EC: 2.5.1.10
UniProt: Q95WL3
Ligands: IPE, PB6, MG
Pockets: 2 · best druggability 0.80

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Farnesyl pyrophosphate synthase (EC 2.5.1.10)	protein	362	74% helix, 2% strand	Q95WL3

Ligands and binding sites

IPE · 3-methylbut-3-enyl trihydrogen diphosphate · ligand · chains A
PB6 · 3-[(1E)-but-1-en-1-yl]-1-(2,2-diphosphonoethyl)pyridinium · ligand · chains A
MG · Magnesium ion · metal · 3 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	323	0.80	0.91	47	IPE, PB6, MG
2	87	0.36	0.75	17	empty

Compared structures

3ICZ · Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with… · 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 Q95WL3
Elsewhere: RCSB PDB 3ICZ · PDBe 3ICZ · UniProt Q95WL3

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