MolNFT v1 · #158428 · protein

NEUTRON/X-ray crystal structure of aac-via bound to gentamicin C1A

6NTJ · Aminoglycoside N(3)-acetyltransferase: “NEUTRON/X-ray crystal structure of aac-via bound to gentamicin C1A”. X-ray diffraction; neutron diffraction, 2 ligands (LLL, MG), 1 pocket (best druggability 0.56). MolNFT v1 #158428 on…

PDB: 6NTJ
Type: protein
Length: 267 residues
Chains: 1
Method: x-ray diffraction; neutron diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aminoglycoside N(3)-acetyltransferase
EC: 2.3.1.81
UniProt: C4NV15
Ligands: LLL, MG
Pockets: 1 · best druggability 0.56

Structure

x-ray diffraction; neutron diffraction · 1 distinct chain · 37% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aminoglycoside N(3)-acetyltransferase (EC 2.3.1.81)	protein	267	37% helix, 21% strand	C4NV15

Ligands and binding sites

LLL · (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-diamino-3-((2R, 3R,6S)-3-amino-6-(aminomethyl)-tetrahydro-2H-pyran-2-yloxy)-2-hydroxycyclohexyloxy)-5-methyl-4-(methylamino)-tetrahydro-2H-pyran-3,5-diol · ligand · chains A
MG · Magnesium ion · metal · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	241	0.56	0.78	40	LLL

Compared structures

6NTJ · Neutron/X-ray crystal structure of AAC-VIa bound to gentamicin C1A · 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 C4NV15
Elsewhere: RCSB PDB 6NTJ · PDBe 6NTJ · UniProt C4NV15

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