MolNFT v1 · #147507 · protein

Structure of the microcompartment-associated aminopropanol kinase

6EF6 · Aminoglycoside phosphotransferase: “Structure of the microcompartment-associated aminopropanol kinase”. X-ray diffraction, 3 ligands (BEZ, JFN, NA), 2 pockets (best druggability 0.71). MolNFT v1 #147507 on GenesisL1: 3D structure…

PDB: 6EF6
Type: protein
Length: 325 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aminoglycoside phosphotransferase
UniProt: A0QP47
Ligands: BEZ, JFN, NA
Pockets: 2 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aminoglycoside phosphotransferase	protein	325	43% helix, 14% strand	A0QP47

Ligands and binding sites

BEZ · Benzoic acid · ligand · chains A
JFN · (2R)-1-methoxypropan-2-amine · ligand · chains A
NA · Sodium ion · metal · 2 copies · chains A
ACT · Acetate ion · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	55	0.71	0.98	16	BEZ
2	86	0.46	0.81	23	JFN, NA

Compared structures

6EF6 · Structure of the microcompartment-associated aminopropanol kinase · 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 A0QP47
Elsewhere: RCSB PDB 6EF6 · PDBe 6EF6 · UniProt A0QP47

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