MolNFT v1 · #49818 · protein

Crystal structure of a putative FMN-dependent nitroreductase (CT0345) from chlorobium tepidum tls at 1.15 a resolution

2R01 · Nitroreductase family protein: “Crystal structure of a putative FMN-dependent nitroreductase (CT0345) from chlorobium tepidum tls at 1.15 a…”. X-ray diffraction, 3 ligands (FMN, CA, PO4), 2 pockets (best druggability 0.37). MolNFT…

PDB: 2R01
Type: protein
Length: 195 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nitroreductase family protein
UniProt: Q8KFI1
Ligands: FMN, CA, PO4
Pockets: 2 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nitroreductase family protein	protein	195	37% helix, 25% strand	Q8KFI1

Ligands and binding sites

FMN · Flavin mononucleotide · ligand · chains A
CA · Calcium ion · metal · chains A
PO4 · Phosphate ion · ion · chains A
EDO · 1,2-ethanediol · additive · chains A

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	51	0.37	0.80	15	empty
2	116	0.37	0.73	17	FMN

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

2R01 · Crystal structure of a putative fmn-dependent nitroreductase (ct0345) from chlorobium… · 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 Q8KFI1
Elsewhere: RCSB PDB 2R01 · PDBe 2R01 · UniProt Q8KFI1

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