MolNFT v1 · #75736 · protein

Fully reduced (all-ferrous) pyrococcus rubrerythrin after a 10 second exposure to peroxide.

3PZA: “Fully reduced (all-ferrous) pyrococcus rubrerythrin after a 10 second exposure to peroxide.”. X-ray diffraction, 2 ligands (PEO, FE2), 2 pockets (best druggability 0.46). MolNFT v1 #75736 on GenesisL1: 3D structure, binding sites…

PDB: 3PZA
Type: protein
Length: 340 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Rubrerythrin
UniProt: Q9UWP7
Ligands: PEO, FE2
Pockets: 2 · best druggability 0.46

Structure

x-ray diffraction · 1 distinct chain · 68% helix, 6% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Rubrerythrin	protein	170	68% helix, 6% strand	Q9UWP7

Ligands and binding sites

PEO · Hydrogen peroxide · ligand · 2 copies · chains A, B
FE2 · Fe (II) ion · metal · 6 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	190	0.46	0.74	20	empty
2	67	0.28	0.73	11	empty

Interfaces

1 interface between chains.

A–B · 4396 Å² buried · 62 hydrogen bonds · protein-protein

Compared structures

3PZA · Fully Reduced (All-ferrous) Pyrococcus rubrerythrin after a 10 second exposure to… · the same entry in another collection · chain B against B, 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 Q9UWP7
Elsewhere: RCSB PDB 3PZA · PDBe 3PZA · UniProt Q9UWP7

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