MolNFT v1 · #10532 · protein

Crystal structure analysis of ferredoxin from plasmodium falciparum

1IUE: “Crystal structure analysis of ferredoxin from plasmodium falciparum”. X-ray diffraction, 2 ligands (FES, NA), 2 pockets (best druggability 0.34). MolNFT v1 #10532 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1IUE
Type: protein
Length: 196 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ferredoxin
UniProt: Q8IED5
Ligands: FES, NA
Pockets: 2 · best druggability 0.34

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Ferredoxin	protein	98	20% helix, 34% strand	Q8IED5

Ligands and binding sites

FES · Fe2/s2 (inorganic) cluster · ligand · 2 copies · chains A, B
NA · Sodium ion · metal · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	77	0.34	0.76	15	empty
2	81	0.33	0.74	19	NA

Interfaces

1 interface between chains.

A–B · 263 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

1IUE · Crystal Structure Analysis of ferredoxin from Plasmodium falciparum · the same entry in another collection · chain A against A, TM-score 1.00
Q8IED5 · AlphaFold monomer V2.0 prediction for ferredoxin, apicoplast (Q8IED5) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q8IED5
Elsewhere: RCSB PDB 1IUE · PDBe 1IUE · UniProt Q8IED5

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