MolNFT v1 · #77038 · protein

2.1A resolution structure of doubly soaked ftna from pseudomonas aeruginosa (pH 6.0)

3R2S · Bacterioferritin: “2.1A resolution structure of doubly soaked ftna from pseudomonas aeruginosa (pH 6.0)”. X-ray diffraction, 3 ligands (FE, NA, SO4), 1 pocket (best druggability 0.34). MolNFT v1 #77038 on GenesisL1: 3D structure…

PDB: 3R2S
Type: protein
Length: 154 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bacterioferritin
UniProt: Q9HWF9
Ligands: FE, NA, SO4
Pockets: 1 · best druggability 0.34

Structure

x-ray diffraction · 1 distinct chain · 81% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bacterioferritin	protein	154	81% helix, 0% strand	Q9HWF9

Ligands and binding sites

FE · Fe (III) ion · metal · 4 copies · chains A
NA · Sodium ion · metal · chains A
SO4 · Sulfate ion · ion · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	66	0.34	0.77	17	empty

Compared structures

3R2S · 2.1A resolution structure of Doubly Soaked FtnA from Pseudomonas aeruginosa (pH 6.0) · the same entry in another collection · chain A against A, TM-score 1.00
Q9HWF9 · AlphaFold monomer V2.0 prediction for bacterioferritin (Q9HWF9) · 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 Q9HWF9
Elsewhere: RCSB PDB 3R2S · PDBe 3R2S · UniProt Q9HWF9

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