MolNFT v1 · #14271 · protein

Aminoglycoside 2'-N-acetyltransferase from mycobacterium tuberculosis- apo structure

1M44: “Aminoglycoside 2'-N-acetyltransferase from mycobacterium tuberculosis- apo structure”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.60). MolNFT v1 #14271 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 1M44
Type: protein
Length: 357 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aminoglycoside 2'-N-acetyltransferase
EC: 2.3.1.-
UniProt: P0A5N0
Ligands: SO4
Pockets: 2 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 29% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aminoglycoside 2'-N-acetyltransferase (EC 2.3.1.-)	protein	177	29% helix, 36% strand	P0A5N0
B	Aminoglycoside 2'-N-acetyltransferase (EC 2.3.1.-)	protein	180	28% helix, 36% strand	P0A5N0

Ligands and binding sites

SO4 · Sulfate ion · ion · 5 copies · chains A, B

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

Pockets

2 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	307	0.60	0.78	31	empty
2	267	0.58	0.78	33	SO4

Interfaces

1 interface between chains.

A–B · 1201 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

1M44 · Aminoglycoside 2'-N-acetyltransferase from Mycobacterium tuberculosis-APO Structure · 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 P0A5N0
Elsewhere: RCSB PDB 1M44 · PDBe 1M44 · UniProt P0A5N0

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