MolNFT v1 · #124744 · protein

Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (iyd) bound to FMN

5KO7 · Nitroreductase: “Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (iyd) bound to FMN”. X-ray diffraction, 1 ligand (FMN), 3 pockets (best druggability 0.62). MolNFT v1 #124744 on GenesisL1: 3D structure…

PDB: 5KO7
Type: protein
Length: 402 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nitroreductase
UniProt: F4KU78
Ligands: FMN
Pockets: 3 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nitroreductase	protein	202	40% helix, 22% strand	F4KU78
B	Nitroreductase	protein	200	40% helix, 23% strand	F4KU78

Ligands and binding sites

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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	317	0.62	0.79	43	FMN
2	234	0.60	0.80	38	FMN
3	74	0.33	0.75	18	empty

Interfaces

1 interface between chains.

A–B · 4704 Å² buried · 63 hydrogen bonds · protein-protein

Compared structures

5KO7 · Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (IYD) bound to… · 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 F4KU78
Elsewhere: RCSB PDB 5KO7 · PDBe 5KO7 · UniProt F4KU78

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