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Magnesium in PDB 6cn1: 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium

Enzymatic activity of 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium

All present enzymatic activity of 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium:
2.5.1.7;

Protein crystallography data

The structure of 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium, PDB code: 6cn1 was solved by G.Minasov, L.Shuvalova, I.Dubrovska, A.Cardona-Correa, S.Grimshaw, K.Kwon, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.95 / 2.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 128.615, 148.119, 164.627, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 25.2

Other elements in 6cn1:

The structure of 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium also contains other interesting chemical elements:

Chlorine (Cl) 5 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium (pdb code 6cn1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium, PDB code: 6cn1:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 6cn1

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Magnesium binding site 1 out of 8 in the 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg503

b:48.1
occ:1.00
 O A:HOH602 2.2 45.7 1.0
O A:HOH639 2.2 46.9 1.0
O A:HOH636 2.2 47.3 1.0
O A:HOH607 2.2 45.8 1.0
O1 A:0V5502 2.2 52.2 1.0
O2P A:0V5502 2.2 49.0 1.0
C1 A:0V5502 3.0 51.8 1.0
P A:0V5502 3.5 47.9 1.0
O2' A:0V5502 3.6 51.6 1.0
NH1 A:ARG400 3.9 50.0 1.0
C2 A:0V5502 4.0 50.7 1.0
O3P A:0V5502 4.1 47.8 1.0
O2 A:0V5502 4.1 50.1 1.0
O A:HOH620 4.2 49.3 1.0
O B:HOH640 4.4 30.4 1.0
O A:THR91 4.4 48.0 1.0
C3 A:0V5502 4.4 51.5 1.0
O A:LYS90 4.5 46.8 1.0
O1P A:0V5502 4.6 47.2 1.0
C A:THR91 5.0 47.6 1.0

Magnesium binding site 2 out of 8 in 6cn1

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Magnesium binding site 2 out of 8 in the 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg502

b:47.3
occ:1.00
 O B:HOH632 2.2 46.1 1.0
O B:HOH609 2.2 45.5 1.0
O B:HOH615 2.2 45.2 1.0
O1P B:0V5501 2.2 48.3 1.0
O2' B:0V5501 2.2 49.1 1.0
O B:HOH630 2.2 47.2 1.0
C1 B:0V5501 2.8 50.0 1.0
O1 B:0V5501 3.3 51.9 1.0
P B:0V5501 3.4 48.2 1.0
NH1 B:ARG400 3.7 50.4 1.0
O3P B:0V5501 3.8 48.0 1.0
C2 B:0V5501 3.9 48.4 1.0
O2 B:0V5501 3.9 49.6 1.0
O B:THR91 4.1 43.6 1.0
C3 B:0V5501 4.4 48.9 1.0
O B:LYS90 4.4 44.6 1.0
C B:THR91 4.6 44.0 1.0
O2P B:0V5501 4.6 47.5 1.0
CZ B:ARG400 4.8 51.1 1.0
CA B:THR91 4.9 44.3 1.0

Magnesium binding site 3 out of 8 in 6cn1

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Magnesium binding site 3 out of 8 in the 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg503

b:41.1
occ:1.00
 O C:HOH643 2.2 40.6 1.0
O C:HOH619 2.2 42.0 1.0
O2P C:0V5502 2.2 39.5 1.0
O C:HOH601 2.2 42.0 1.0
O2' C:0V5502 2.2 45.6 1.0
O C:HOH624 2.2 42.1 1.0
C1 C:0V5502 2.8 46.1 1.0
O1 C:0V5502 3.3 46.3 1.0
P C:0V5502 3.3 40.1 1.0
O1P C:0V5502 3.6 40.8 1.0
NH1 C:ARG400 3.8 46.9 1.0
C2 C:0V5502 3.8 44.5 1.0
O2 C:0V5502 3.9 42.6 1.0
O C:THR91 4.1 41.3 1.0
C3 C:0V5502 4.2 45.1 1.0
O C:LYS90 4.3 40.9 1.0
C C:THR91 4.5 41.4 1.0
O3P C:0V5502 4.6 40.1 1.0
CA C:THR91 4.9 42.1 1.0
CZ C:ARG400 4.9 47.1 1.0

Magnesium binding site 4 out of 8 in 6cn1

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Magnesium binding site 4 out of 8 in the 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg502

b:39.2
occ:1.00
 O D:HOH635 2.2 39.0 1.0
O D:HOH601 2.2 38.5 1.0
O2P D:0V5501 2.2 37.6 1.0
O D:HOH627 2.2 37.4 1.0
O1 D:0V5501 2.2 43.3 1.0
O D:HOH631 2.2 38.8 1.0
C1 D:0V5501 3.2 43.9 1.0
P D:0V5501 3.4 37.8 1.0
NH1 D:ARG400 3.6 41.6 1.0
O3P D:0V5501 3.8 37.4 1.0
O D:THR91 3.8 41.8 1.0
O2' D:0V5501 3.8 47.0 1.0
O D:HOH626 3.9 41.0 1.0
O2 D:0V5501 4.0 39.6 1.0
C2 D:0V5501 4.1 40.2 1.0
O D:LYS90 4.3 38.8 1.0
C D:THR91 4.5 40.4 1.0
O1P D:0V5501 4.6 36.3 1.0
C3 D:0V5501 4.6 40.1 1.0
CZ D:ARG400 4.7 40.9 1.0
CA D:THR91 4.9 40.6 1.0

Magnesium binding site 5 out of 8 in 6cn1

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Magnesium binding site 5 out of 8 in the 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg502

b:44.8
occ:1.00
 O E:HOH602 2.2 44.5 1.0
O E:HOH608 2.2 45.4 1.0
O E:HOH631 2.2 43.4 1.0
O2' E:0V5501 2.2 47.5 1.0
O E:HOH627 2.2 44.4 1.0
O1P E:0V5501 2.2 46.7 1.0
C1 E:0V5501 2.9 48.4 1.0
O1 E:0V5501 3.4 50.4 1.0
P E:0V5501 3.5 47.0 1.0
NH1 E:ARG400 3.7 43.5 1.0
C2 E:0V5501 3.8 46.7 1.0
O E:THR91 3.9 45.5 1.0
O2 E:0V5501 4.0 47.3 1.0
C3 E:0V5501 4.1 46.5 1.0
O2P E:0V5501 4.1 46.4 1.0
O E:LYS90 4.5 46.7 1.0
C E:THR91 4.6 45.2 1.0
O3P E:0V5501 4.7 47.4 1.0
CZ E:ARG400 4.8 43.7 1.0
CA E:THR91 4.9 45.8 1.0

Magnesium binding site 6 out of 8 in 6cn1

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Magnesium binding site 6 out of 8 in the 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg503

b:46.1
occ:1.00
 O1 F:0V5502 2.1 46.6 1.0
O F:HOH602 2.2 45.1 1.0
O F:HOH628 2.2 46.2 1.0
O F:HOH601 2.2 44.6 1.0
O F:HOH622 2.2 44.2 1.0
O2P F:0V5502 2.2 47.0 1.0
C1 F:0V5502 2.9 47.5 1.0
P F:0V5502 3.5 47.5 1.0
NH1 F:ARG400 3.5 50.1 1.0
O2' F:0V5502 3.6 47.1 1.0
C2 F:0V5502 3.8 47.7 1.0
C3 F:0V5502 3.8 48.5 1.0
O3P F:0V5502 3.9 47.9 1.0
O F:THR91 3.9 39.8 1.0
O2 F:0V5502 4.0 48.8 1.0
O F:LYS90 4.3 43.4 1.0
C F:THR91 4.3 40.9 1.0
CZ F:ARG400 4.6 49.7 1.0
O1P F:0V5502 4.7 48.3 1.0
CA F:THR91 4.7 41.7 1.0

Magnesium binding site 7 out of 8 in 6cn1

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Magnesium binding site 7 out of 8 in the 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mg502

b:52.2
occ:1.00
 O2P G:0V5501 2.2 51.3 1.0
O1 G:0V5501 2.2 55.6 1.0
O G:HOH611 2.2 50.8 1.0
O G:HOH617 2.2 51.8 1.0
O G:HOH601 2.2 51.0 1.0
O G:HOH613 2.2 50.9 1.0
C1 G:0V5501 2.7 56.0 1.0
O2' G:0V5501 3.2 56.4 1.0
P G:0V5501 3.5 52.7 1.0
NH1 G:ARG400 3.7 49.5 1.0
C2 G:0V5501 3.7 53.6 1.0
O2 G:0V5501 3.9 54.8 1.0
O3P G:0V5501 4.0 50.6 1.0
C3 G:0V5501 4.1 53.7 1.0
O G:THR91 4.2 48.6 1.0
O G:LYS90 4.6 49.0 1.0
O1P G:0V5501 4.6 53.5 1.0
C G:THR91 4.7 48.0 1.0
CZ G:ARG400 4.9 50.1 1.0

Magnesium binding site 8 out of 8 in 6cn1

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Magnesium binding site 8 out of 8 in the 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2- (Phosphonooxy)Propanoic Acid and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mg503

b:47.7
occ:1.00
 O H:HOH624 2.2 49.0 1.0
O H:HOH641 2.2 46.8 1.0
O1P H:0V5502 2.2 49.1 1.0
O H:HOH604 2.2 48.4 1.0
O2' H:0V5502 2.2 50.5 1.0
O H:HOH614 2.2 48.4 1.0
C1 H:0V5502 2.7 51.0 1.0
O1 H:0V5502 3.0 53.7 1.0
P H:0V5502 3.4 50.9 1.0
NH1 H:ARG400 3.6 49.3 1.0
C2 H:0V5502 3.7 49.0 1.0
O2 H:0V5502 3.9 49.9 1.0
O2P H:0V5502 3.9 49.4 1.0
C3 H:0V5502 4.1 48.6 1.0
O H:THR91 4.2 49.3 1.0
O H:HOH608 4.2 40.2 1.0
O H:LYS90 4.4 49.1 1.0
O3P H:0V5502 4.6 49.4 1.0
C H:THR91 4.7 48.6 1.0
CZ H:ARG400 4.7 48.4 1.0
CA H:THR91 4.9 49.8 1.0
NH2 H:ARG400 5.0 49.3 1.0

Reference:

G.Minasov, L.Shuvalova, I.Dubrovska, A.Cardona-Correa, S.Grimshaw, K.Kwon, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.75 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Pseudomonas Putida in Complex with Uridine-Diphosphate-2(N-Acetylglucosaminyl) Butyric Acid, (2R)-2-(Phosphonooxy)Propanoic Acid and Magnesium. To Be Published.
Page generated: Mon Sep 30 22:27:58 2024

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