MolNFT v1 · #162145 · protein

T. cruzi fpps in complex with 2-(5-CHLOROBENZO[B]THIOPHEN-3-YL)ACETIC acid

6R07 · Farnesyl diphosphate synthase: “T. cruzi fpps in complex with 2-(5-CHLOROBENZO[B]THIOPHEN-3-YL)ACETIC acid”. X-ray diffraction, 3 ligands (3N2, ZN, SO4), 3 pockets (best druggability 0.80). MolNFT v1 #162145 on GenesisL1: 3D…

PDB: 6R07
Type: protein
Length: 357 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Farnesyl diphosphate synthase
UniProt: Q8WS26
Ligands: 3N2, ZN, SO4
Pockets: 3 · 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 diphosphate synthase	protein	357	74% helix, 2% strand	Q8WS26

Ligands and binding sites

3N2 · (5-chloro-1-benzothiophen-3-yl)acetic acid · ligand · 2 copies · chains A
ZN · Zinc ion · metal · 2 copies · chains A
SO4 · Sulfate ion · ion · chains A
DMS · Dimethyl sulfoxide · additive · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	702	0.80	0.84	63	ZN, SO4, DMS
2	50	0.32	0.77	11	empty
3	63	0.30	0.73	12	3N2

Compared structures

6R07 · T. cruzi FPPS in complex with 2-(5-chlorobenzo[b]thiophen-3-yl)acetic acid · 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 6R07 · PDBe 6R07 · UniProt Q8WS26

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