MolNFT v1 · #72942 · protein

Halogenase domain from cura module with fe, chloride, and alpha- ketoglutarate

3NNF: “Halogenase domain from cura module with fe, chloride, and alpha- ketoglutarate”. X-ray diffraction, 3 ligands (AKG, FE, CL), 3 pockets (best druggability 0.73). MolNFT v1 #72942 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 3NNF
Type: protein
Length: 318 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cura
UniProt: Q6DNF2
Ligands: AKG, FE, CL
Pockets: 3 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cura	protein	318	42% helix, 20% strand	Q6DNF2

Ligands and binding sites

AKG · 2-oxoglutaric acid · ligand · chains A
FE · Fe (III) ion · metal · chains A
CL · Chloride ion · ion · chains A
FMT · Formic acid · additive · 6 copies · chains A

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	150	0.73	0.91	44	FE, FMT, AKG
2	147	0.55	0.81	30	FMT
3	76	0.37	0.77	15	empty

Compared structures

3NNF · Halogenase domain from CurA module with Fe, chloride, and alpha-ketoglutarate · 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 Q6DNF2
Elsewhere: RCSB PDB 3NNF · PDBe 3NNF · UniProt Q6DNF2

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