MolNFT v1 · #71322 · protein

Crystal structure of plasmodium vivax putative farnesyl pyrophosphate synthase (PV092040)

3MAV: “Crystal structure of plasmodium vivax putative farnesyl pyrophosphate synthase (PV092040)”. X-ray diffraction, 1 ligand (SO4), 15 pockets (best druggability 0.77). MolNFT v1 #71322 on GenesisL1: 3D structure, binding sites and…

PDB: 3MAV
Type: protein
Length: 1,399 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Farnesyl pyrophosphate synthase
UniProt: A5K4U6
Ligands: SO4
Pockets: 15 · best druggability 0.77

Structure

x-ray diffraction · 4 distinct chains · 71% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Farnesyl pyrophosphate synthase	protein	348	73% helix, 1% strand	A5K4U6
B	Farnesyl pyrophosphate synthase	protein	345	70% helix, 1% strand	A5K4U6
C	Farnesyl pyrophosphate synthase	protein	350	70% helix, 1% strand	A5K4U6
D	Farnesyl pyrophosphate synthase	protein	356	72% helix, 1% strand	A5K4U6

Ligands and binding sites

SO4 · Sulfate ion · ion · 9 copies · chains A, B, C, D

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

Pockets

15 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	723	0.77	0.82	62	SO4
2	588	0.76	0.82	62	SO4
3	600	0.71	0.79	53	empty
4	544	0.70	0.80	45	SO4
5	194	0.58	0.81	32	empty

Interfaces

3 interfaces between chains.

C–D · 3549 Å² buried · 26 hydrogen bonds · protein-protein
A–B · 3478 Å² buried · 27 hydrogen bonds · protein-protein
B–C · 263 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

3MAV · Crystal structure of Plasmodium vivax putative farnesyl pyrophosphate synthase (Pv092040) · 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 A5K4U6
Elsewhere: RCSB PDB 3MAV · PDBe 3MAV · UniProt A5K4U6

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