Magnesium in PDB 4qf5: Crystal Structure I of Murf From Acinetobacter Baumannii

All present enzymatic activity of Crystal Structure I of Murf From Acinetobacter Baumannii:
6.3.2.10;

The structure of Crystal Structure I of Murf From Acinetobacter Baumannii, PDB code: 4qf5 was solved by Y.J.An, C.S.Jeong, S.S.Cha, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.44 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.559, 89.716, 126.896, 90.00, 93.45, 90.00
R / Rfree (%)	19.2 / 24.9

The binding sites of Magnesium atom in the Crystal Structure I of Murf From Acinetobacter Baumannii (pdb code 4qf5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure I of Murf From Acinetobacter Baumannii, PDB code: 4qf5:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure I of Murf From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure I of Murf From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:28.1 occ:1.00 O1B A:ATP501 2.3 29.0 1.0 OG1 A:THR126 2.4 27.2 1.0 OE2 A:GLU172 2.6 36.5 1.0 O1G A:ATP501 2.6 31.1 1.0 CD A:GLU172 3.3 36.0 1.0 PG A:ATP501 3.4 36.0 1.0 OE1 A:GLU172 3.4 31.8 1.0 ND2 A:ASN150 3.5 36.8 1.0 O3B A:ATP501 3.5 55.3 1.0 O3G A:ATP501 3.5 29.7 1.0 PB A:ATP501 3.5 39.7 1.0 CB A:THR126 3.8 21.6 1.0 NH2 A:ARG327 4.2 27.1 1.0 O A:GLY147 4.3 37.5 1.0 N A:THR126 4.5 19.2 1.0 CG A:ASN150 4.5 35.6 1.0 CA A:THR126 4.6 20.4 1.0 O3A A:ATP501 4.7 22.9 1.0 O2G A:ATP501 4.7 24.4 1.0 CG2 A:THR126 4.7 17.0 1.0 O2B A:ATP501 4.8 10.5 1.0 CG A:GLU172 4.8 30.3 1.0 O1A A:ATP501 4.9 26.7 1.0 CE A:LYS125 5.0 24.7 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure I of Murf From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure I of Murf From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg503 b:33.7 occ:1.00 O2G A:ATP501 2.3 24.4 1.0 NE2 A:HIS202 2.3 42.0 1.0 CE1 A:HIS202 3.1 40.0 1.0 CD2 A:HIS202 3.3 38.4 1.0 OQ2 A:KCX216 3.3 33.2 1.0 PG A:ATP501 3.7 36.0 1.0 NZ A:LYS125 4.1 15.2 1.0 ND1 A:HIS202 4.1 44.3 1.0 O3G A:ATP501 4.2 29.7 1.0 CG A:HIS202 4.2 33.2 1.0 CX A:KCX216 4.3 30.7 1.0 O A:SER122 4.4 28.7 1.0 O3B A:ATP501 4.5 55.3 1.0 O1G A:ATP501 4.5 31.1 1.0 OQ1 A:KCX216 4.6 30.0 1.0 CB A:ALA201 4.6 31.0 1.0 CE A:LYS125 5.0 24.7 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure I of Murf From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure I of Murf From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:23.0 occ:1.00 O1B B:ATP501 2.3 14.6 1.0 OE2 B:GLU172 2.6 20.7 1.0 OG1 B:THR126 2.7 22.5 1.0 O1G B:ATP501 2.9 22.3 1.0 CD B:GLU172 3.2 26.2 1.0 OE1 B:GLU172 3.3 34.8 1.0 O3B B:ATP501 3.4 36.2 1.0 ND2 B:ASN150 3.5 33.6 1.0 PG B:ATP501 3.5 24.6 1.0 O2G B:ATP501 3.5 15.6 1.0 PB B:ATP501 3.5 23.7 1.0 CB B:THR126 4.0 14.1 1.0 NH2 B:ARG327 4.4 20.9 1.0 CG B:GLU172 4.5 19.5 1.0 O B:GLY147 4.5 31.7 1.0 CG B:ASN150 4.6 27.0 1.0 O3A B:ATP501 4.6 16.4 1.0 N B:THR126 4.6 15.0 1.0 O2B B:ATP501 4.7 6.8 1.0 CA B:THR126 4.7 15.3 1.0 CE B:LYS125 4.9 8.8 1.0 O3G B:ATP501 4.9 27.4 1.0 O1A B:ATP501 4.9 15.7 1.0 CG2 B:THR126 5.0 17.4 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure I of Murf From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure I of Murf From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg503 b:38.0 occ:1.00 O3G B:ATP501 2.2 27.4 1.0 NE2 B:HIS202 2.2 32.2 1.0 OQ2 B:KCX216 3.0 18.3 1.0 CD2 B:HIS202 3.1 21.1 1.0 CE1 B:HIS202 3.3 27.6 1.0 PG B:ATP501 3.6 24.6 1.0 CX B:KCX216 3.9 10.5 1.0 OQ1 B:KCX216 4.0 9.9 1.0 O B:ALA175 4.1 32.7 1.0 O1G B:ATP501 4.1 22.3 1.0 O2G B:ATP501 4.2 15.6 1.0 NZ B:LYS125 4.2 7.5 1.0 CG B:HIS202 4.3 25.5 1.0 ND1 B:HIS202 4.4 27.0 1.0 ND2 B:ASN176 4.6 42.0 1.0 N B:ALA175 4.7 19.2 1.0 C B:ALA175 4.8 30.6 1.0 O3B B:ATP501 4.8 36.2 1.0 OD1 B:ASN176 4.8 36.7 1.0 CE B:LYS125 4.9 8.8 1.0 CG B:ASN176 4.9 43.0 1.0 CA B:GLY174 4.9 15.9 1.0

S.S.Cha, Y.J.An, C.S.Jeong, J.H.Yu, K.M.Chung. Atp-Binding Mode Including A Carbamoylated Lysine and Two Mg(2+) Ions, and Substrate-Binding Mode in Acinetobacter Baumannii Murf Biochem.Biophys.Res.Commun. V. 450 1045 2014.
ISSN: ISSN 0006-291X
PubMed: 24978312
DOI: 10.1016/J.BBRC.2014.06.108