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Crystal structure of FMN-binding protein (YP_005476) from thermus thermophilus with bound benzene-1,4-diol

Analyse Crystal structure of FMN-binding protein (YP_005476) from thermus thermophilus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3ZOF
Type: protein
Length: 356 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Flavoredoxin
UniProt: Q72HI0
Ligands: HQE, FMN
Pockets: 3 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 13% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Flavoredoxin	protein	178	13% helix, 46% strand	Q72HI0

Ligands and binding sites

HQE · benzene-1,4-diol · ligand · 2 copies · chains A, B
FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	83	0.77	0.99	21	empty
2	301	0.61	0.79	40	HQE, FMN
3	282	0.60	0.79	38	HQE, FMN

Interfaces

1 interface between chains.

A–B · 3834 Å² buried · 44 hydrogen bonds · protein-protein

Compared structures

3ZOF · Crystal structure of FMN-binding protein (YP_005476) from Thermus thermophilus with bound… · 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 Q72HI0
Elsewhere: RCSB PDB 3ZOF · PDBe 3ZOF · UniProt Q72HI0

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