Magnesium in PDB 4xfj: Crystal Structure of Argininosuccinate Synthase From Mycobacterium Thermoresistibile in Complex with Amppnp and Arginine

Enzymatic activity of Crystal Structure of Argininosuccinate Synthase From Mycobacterium Thermoresistibile in Complex with Amppnp and Arginine

All present enzymatic activity of Crystal Structure of Argininosuccinate Synthase From Mycobacterium Thermoresistibile in Complex with Amppnp and Arginine:
6.3.4.5;

Protein crystallography data

The structure of Crystal Structure of Argininosuccinate Synthase From Mycobacterium Thermoresistibile in Complex with Amppnp and Arginine, PDB code: 4xfj was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.90 / 1.55
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 93.830, 143.410, 58.030, 90.00, 90.00, 90.00
R / Rfree (%) 13.6 / 18.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Argininosuccinate Synthase From Mycobacterium Thermoresistibile in Complex with Amppnp and Arginine (pdb code 4xfj). 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 of Argininosuccinate Synthase From Mycobacterium Thermoresistibile in Complex with Amppnp and Arginine, PDB code: 4xfj:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4xfj

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Magnesium binding site 1 out of 4 in the Crystal Structure of Argininosuccinate Synthase From Mycobacterium Thermoresistibile in Complex with Amppnp and Arginine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Argininosuccinate Synthase From Mycobacterium Thermoresistibile in Complex with Amppnp and Arginine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:26.7
occ:1.00
 O A:HOH883 2.0 25.6 1.0
O1A A:ANP501 2.1 25.1 1.0
O1B A:ANP501 2.1 27.8 1.0
O A:HOH1019 2.1 27.5 1.0
O A:HOH966 2.1 36.5 1.0
O3G A:ANP501 2.2 52.2 1.0
PA A:ANP501 3.2 25.6 1.0
PB A:ANP501 3.2 29.3 1.0
PG A:ANP501 3.4 45.6 1.0
O3A A:ANP501 3.6 29.8 1.0
O A:HOH875 3.9 25.6 1.0
N3B A:ANP501 3.9 34.5 1.0
O1G A:ANP501 4.0 49.2 1.0
O A:HOH955 4.2 29.3 1.0
CB A:SER10 4.2 23.3 1.0
O5' A:ANP501 4.2 19.9 1.0
OG A:SER10 4.3 26.7 1.0
O2A A:ANP501 4.4 28.4 1.0
O A:HOH932 4.5 52.2 1.0
O2B A:ANP501 4.6 28.6 1.0
O A:ILE176 4.6 30.2 1.0
O2G A:ANP501 4.6 50.6 1.0
OD1 A:ASP177 4.7 31.4 1.0
O A:HOH990 4.7 38.6 1.0
C8 A:ANP501 5.0 20.2 1.0

Magnesium binding site 2 out of 4 in 4xfj

Go back to Magnesium Binding Sites List in 4xfj
Magnesium binding site 2 out of 4 in the Crystal Structure of Argininosuccinate Synthase From Mycobacterium Thermoresistibile in Complex with Amppnp and Arginine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Argininosuccinate Synthase From Mycobacterium Thermoresistibile in Complex with Amppnp and Arginine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg506

b:15.4
occ:0.48
 MG A:MG506 0.0 15.4 0.5
O B:HOH762 2.0 12.9 0.5
O A:HOH849 2.1 29.5 1.0
O B:HOH698 2.1 13.8 1.0
MG A:MG506 2.1 11.3 0.5
O B:HOH743 2.3 21.8 1.0
O B:HOH762 2.7 9.6 0.5
O B:HOH807 3.0 23.8 1.0
O A:HOH817 3.7 22.5 1.0
O B:HOH767 3.8 23.5 1.0
OD2 A:ASP85 3.8 18.9 1.0
O B:ARG301 3.9 11.3 1.0
OD1 B:ASP85 4.1 21.8 1.0
OE1 B:GLN305 4.1 17.2 1.0
O A:HOH707 4.1 14.3 1.0
OD2 B:ASP85 4.1 17.9 1.0
O B:HOH732 4.4 18.9 1.0
CG B:ASP85 4.4 17.6 1.0
O B:HOH694 4.4 12.9 1.0
CB B:GLN305 4.5 10.3 1.0
OE1 A:GLN305 4.5 16.9 1.0
CB B:ARG301 4.6 10.5 0.7
CG A:ASP85 4.6 17.5 1.0
CB B:ARG301 4.6 9.7 0.3
OD1 A:ASP85 4.6 22.4 1.0
C B:ARG301 4.7 9.2 1.0
CD B:GLN305 4.9 13.1 1.0

Magnesium binding site 3 out of 4 in 4xfj

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Magnesium binding site 3 out of 4 in the Crystal Structure of Argininosuccinate Synthase From Mycobacterium Thermoresistibile in Complex with Amppnp and Arginine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Argininosuccinate Synthase From Mycobacterium Thermoresistibile in Complex with Amppnp and Arginine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg506

b:11.3
occ:0.52
 MG A:MG506 0.0 11.3 0.5
O B:HOH762 2.0 9.6 0.5
O B:HOH807 2.0 23.8 1.0
O A:HOH817 2.1 22.5 1.0
O A:HOH707 2.1 14.3 1.0
MG A:MG506 2.1 15.4 0.5
O B:HOH762 2.8 12.9 0.5
O A:HOH849 3.1 29.5 1.0
O B:HOH743 3.8 21.8 1.0
OD2 B:ASP85 3.8 17.9 1.0
O A:HOH783 3.9 21.1 1.0
OD1 A:ASP85 3.9 22.4 1.0
O A:ARG301 4.0 11.1 1.0
OE1 A:GLN305 4.0 16.9 1.0
O B:HOH698 4.1 13.8 1.0
OD2 A:ASP85 4.1 18.9 1.0
O A:HOH771 4.3 18.4 1.0
CG A:ASP85 4.4 17.5 1.0
CB A:GLN305 4.4 10.6 1.0
O A:HOH708 4.5 11.8 1.0
OE1 B:GLN305 4.6 17.2 1.0
CG B:ASP85 4.7 17.6 1.0
CB A:ARG301 4.7 9.1 0.7
CB A:ARG301 4.7 8.6 0.3
C A:ARG301 4.8 9.7 1.0
OD1 B:ASP85 4.8 21.8 1.0
CD A:GLN305 4.9 15.4 1.0
CG A:GLN305 5.0 11.9 1.0

Magnesium binding site 4 out of 4 in 4xfj

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Magnesium binding site 4 out of 4 in the Crystal Structure of Argininosuccinate Synthase From Mycobacterium Thermoresistibile in Complex with Amppnp and Arginine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Argininosuccinate Synthase From Mycobacterium Thermoresistibile in Complex with Amppnp and Arginine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg503

b:73.9
occ:1.00
 O2A B:ANP502 2.1 45.2 1.0
O B:HOH886 2.2 37.7 1.0
O2B B:ANP502 2.3 55.4 1.0
O3G B:ANP502 2.4 71.3 1.0
PA B:ANP502 3.3 45.2 1.0
PB B:ANP502 3.5 57.5 1.0
PG B:ANP502 3.6 71.9 1.0
O3A B:ANP502 3.8 52.9 1.0
O B:HOH975 3.8 38.9 1.0
CB B:SER10 4.1 44.4 1.0
N3B B:ANP502 4.1 65.4 1.0
OG B:SER10 4.2 47.2 1.0
O B:HOH992 4.2 34.9 1.0
O2G B:ANP502 4.3 71.9 1.0
O5' B:ANP502 4.4 40.9 1.0
O1A B:ANP502 4.4 48.1 1.0
O B:ILE176 4.5 24.7 1.0
OD1 B:ASP177 4.5 32.2 1.0
C8 B:ANP502 4.8 32.6 1.0
O1B B:ANP502 4.8 58.0 1.0
N7 B:ANP502 4.9 29.6 1.0
O1G B:ANP502 4.9 73.8 1.0

Reference:

J.Abendroth, D.M.Dranow, D.D.Lorimer, T.E.Edwards. Crystal Structure of Argininosuccinate Synthase From Mycobacterium Thermoresistibile in Complex with Amppnp and Arginine To Be Published.
Page generated: Mon Dec 14 19:46:34 2020

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