MolNFT v1 · #163802 · protein

Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 4NP

6SDP: “Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 4NP”. X-ray diffraction, 3 ligands (NPO, ZN, SO4), 3 pockets (best druggability 0.78). MolNFT v1 #163802 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 6SDP
Type: protein
Length: 362 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Farnesyl diphosphate synthase
UniProt: Q8WS26
Ligands: NPO, ZN, SO4
Pockets: 3 · best druggability 0.78

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Farnesyl diphosphate synthase	protein	362	74% helix, 1% strand	Q8WS26

Ligands and binding sites

NPO · P-nitrophenol · ligand · chains A
ZN · Zinc ion · metal · 2 copies · chains A
SO4 · Sulfate ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	651	0.78	0.83	54	SO4, ZN
2	65	0.52	0.86	20	NPO
3	57	0.30	0.75	17	empty

Compared structures

6SDP · Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 4np · 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 6SDP · PDBe 6SDP · UniProt Q8WS26

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