Magnesium in PDB 7cmp: Pare in Complex with Amppnp

All present enzymatic activity of Pare in Complex with Amppnp:
5.6.2.2;

The structure of Pare in Complex with Amppnp, PDB code: 7cmp was solved by H.Y.Jung, Y.-S.Heo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.10 / 2.89
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.016, 126.747, 96.044, 90, 109.61, 90
R / Rfree (%)	20.2 / 26

The binding sites of Magnesium atom in the Pare in Complex with Amppnp (pdb code 7cmp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Pare in Complex with Amppnp, PDB code: 7cmp:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Pare in Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pare in Complex with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:27.7 occ:1.00 OD1 A:ASN86 2.0 38.3 1.0 O A:HOH609 2.1 34.6 1.0 O1G A:ANP502 2.2 28.0 1.0 O2B A:ANP502 2.3 36.8 1.0 O1A A:ANP502 2.6 34.7 1.0 O A:HOH618 2.7 37.3 1.0 CG A:ASN86 2.9 34.4 1.0 ND2 A:ASN86 3.2 36.7 1.0 PG A:ANP502 3.5 35.0 1.0 PB A:ANP502 3.5 29.3 1.0 PA A:ANP502 3.8 34.5 1.0 N3B A:ANP502 3.9 29.4 1.0 O A:GLU82 3.9 36.2 1.0 O3A A:ANP502 3.9 32.8 1.0 CA A:GLY154 4.0 38.1 1.0 NZ A:LYS143 4.0 31.0 1.0 OE1 A:GLU82 4.2 44.6 1.0 CB A:ASN86 4.2 33.4 1.0 N A:ASN86 4.3 31.4 1.0 O3G A:ANP502 4.4 28.0 1.0 CB A:ASP85 4.4 41.0 1.0 CA A:ASN86 4.5 34.3 1.0 O5' A:ANP502 4.6 35.9 1.0 O2G A:ANP502 4.6 28.0 1.0 OD2 A:ASP89 4.6 43.9 1.0 CA A:GLY159 4.6 34.0 1.0 N A:GLY154 4.7 35.9 1.0 O1B A:ANP502 4.8 30.7 1.0 C A:ASP85 4.8 33.3 1.0 C A:GLU82 4.9 32.9 1.0 O2A A:ANP502 5.0 37.0 1.0 NZ A:LYS377 5.0 35.4 1.0

Magnesium binding site 2 out of 4 in the Pare in Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Pare in Complex with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:37.9 occ:1.00 OD1 B:ASN86 2.0 52.0 1.0 O1G B:ANP502 2.0 38.2 1.0 O1A B:ANP502 2.4 45.2 1.0 O2B B:ANP502 2.6 43.1 1.0 CG B:ASN86 3.0 43.9 1.0 PG B:ANP502 3.3 33.4 1.0 PB B:ANP502 3.3 30.4 1.0 NZ B:LYS143 3.4 56.9 1.0 ND2 B:ASN86 3.4 45.0 1.0 PA B:ANP502 3.4 46.0 1.0 O3A B:ANP502 3.4 32.4 1.0 N3B B:ANP502 3.7 33.7 1.0 O B:GLU82 4.0 39.5 1.0 CA B:GLY154 4.1 32.9 1.0 O2G B:ANP502 4.1 32.2 1.0 O5' B:ANP502 4.2 38.7 1.0 CB B:ASN86 4.3 35.6 1.0 OE2 B:GLU82 4.3 41.4 1.0 N B:ASN86 4.4 22.3 1.0 O3G B:ANP502 4.4 29.6 1.0 CA B:GLY159 4.5 36.9 1.0 CA B:ASN86 4.5 28.0 1.0 CB B:ASP85 4.6 35.1 1.0 O2A B:ANP502 4.7 37.2 1.0 CE B:LYS143 4.7 41.3 1.0 O1B B:ANP502 4.8 29.0 1.0 N B:GLY154 4.8 31.7 1.0 N B:GLY159 4.8 32.0 1.0 OD2 B:ASP89 4.9 32.4 1.0 C B:GLU82 4.9 34.6 1.0 C B:ASP85 5.0 29.2 1.0

Magnesium binding site 3 out of 4 in the Pare in Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Pare in Complex with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg501 b:40.7 occ:1.00 O1G C:ANP502 2.1 41.2 1.0 OD1 C:ASN86 2.1 49.8 1.0 O2B C:ANP502 2.3 30.6 1.0 O1A C:ANP502 2.7 31.6 1.0 CG C:ASN86 3.1 38.5 1.0 PG C:ANP502 3.4 31.3 1.0 PB C:ANP502 3.6 27.5 1.0 ND2 C:ASN86 3.6 39.5 1.0 OE1 C:GLU82 3.7 45.0 1.0 O C:GLU82 3.8 37.4 1.0 PA C:ANP502 3.9 40.2 1.0 N3B C:ANP502 4.0 34.0 1.0 CA C:GLY154 4.0 26.1 1.0 O3A C:ANP502 4.1 34.5 1.0 O3G C:ANP502 4.2 29.3 1.0 N C:ASN86 4.3 30.4 1.0 CB C:ASP85 4.3 32.9 1.0 NZ C:LYS143 4.4 39.2 1.0 CB C:ASN86 4.4 32.7 1.0 CA C:ASN86 4.5 31.2 1.0 O2G C:ANP502 4.5 29.1 1.0 N C:GLY154 4.7 31.4 1.0 CA C:GLY159 4.7 31.7 1.0 OD2 C:ASP89 4.7 27.4 1.0 O1B C:ANP502 4.7 28.4 1.0 C C:ASP85 4.7 26.2 1.0 C C:GLU82 4.7 31.4 1.0 NZ C:LYS377 4.8 37.4 1.0 O5' C:ANP502 4.9 29.5 1.0 CA C:GLU82 4.9 28.1 1.0 CD C:GLU82 4.9 40.6 1.0

Magnesium binding site 4 out of 4 in the Pare in Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Pare in Complex with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg501 b:44.8 occ:1.00 O2B D:ANP502 2.1 40.7 1.0 ND2 D:ASN86 2.1 61.6 1.0 O2G D:ANP502 2.1 45.3 1.0 O1A D:ANP502 2.4 47.6 1.0 CG D:ASN86 3.0 53.2 1.0 OD1 D:ASN86 3.2 52.6 1.0 PB D:ANP502 3.4 44.4 1.0 PG D:ANP502 3.6 34.2 1.0 PA D:ANP502 3.6 39.2 1.0 O D:GLU82 3.7 38.8 1.0 OE2 D:GLU82 3.7 38.1 1.0 O3A D:ANP502 3.8 36.3 1.0 N3B D:ANP502 4.1 37.8 1.0 CB D:ASN86 4.3 45.9 1.0 O3G D:ANP502 4.3 42.0 1.0 N D:ASN86 4.4 37.0 1.0 CA D:GLY159 4.4 37.5 1.0 CA D:GLY154 4.4 40.6 1.0 O5' D:ANP502 4.5 47.9 1.0 O1B D:ANP502 4.6 39.1 1.0 O1G D:ANP502 4.6 33.0 1.0 CA D:ASN86 4.6 42.3 1.0 C D:GLU82 4.6 34.5 1.0 CB D:ASP85 4.7 42.1 1.0 O2A D:ANP502 4.7 37.2 1.0 NZ D:LYS143 4.7 42.5 1.0 N D:GLY159 4.8 41.4 1.0 CD D:GLU82 4.9 38.7 1.0 CA D:GLU82 4.9 29.7 1.0 N D:VAL160 4.9 30.2 1.0 CG2 D:VAL160 5.0 45.0 1.0

H.Y.Jung, Y.-S.Heo. Crystal Structure of Pare in Complex with Amppnp To Be Published.