MolNFT v1 · #49263 · protein

Crystal structure of aminoglycoside acetyltransferase AAC(6')-ib in complex whith coenzyme a and kanamycin

2QIR · Aminoglycoside 6-N-acetyltransferase type IB11: “Crystal structure of aminoglycoside acetyltransferase AAC(6')-ib in complex whith coenzyme a and kanamycin”. X-ray diffraction, 2 ligands (COA, 9CS), 1 pocket (best druggability…

PDB: 2QIR
Type: protein
Length: 172 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aminoglycoside 6-N-acetyltransferase type IB11
EC: 2.3.1.82
UniProt: Q8GLI5
Ligands: COA, 9CS
Pockets: 1 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aminoglycoside 6-N-acetyltransferase type IB11 (EC 2.3.1.82)	protein	172	37% helix, 30% strand	Q8GLI5

Ligands and binding sites

COA · Coenzyme A · ligand · chains A
9CS · (1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside · ligand · 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	556	0.74	0.81	52	COA, 9CS

Compared structures

2QIR · Crystal structure of aminoglycoside acetyltransferase AAC(6')-Ib in complex whith… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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Every structure of UniProt Q8GLI5
Elsewhere: RCSB PDB 2QIR · PDBe 2QIR · UniProt Q8GLI5

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