Chlorine 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:

Magnesium (Mg) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 5 binding sites of Chlorine 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 Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 6cn1

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Chlorine binding site 1 out of 5 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 Chlorine with other atoms in the Cl 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:Cl504

b:58.6
occ:1.00
 O A:HOH638 2.9 36.4 1.0
O A:HOH616 3.5 19.4 1.0
CG A:GLU263 3.5 51.2 1.0
CB A:PRO303 3.8 37.1 1.0
CB A:GLU263 3.9 49.2 1.0
CD D:GLN186 4.3 49.7 1.0
NE2 D:GLN186 4.3 51.6 1.0
CG D:GLN186 4.3 47.2 1.0
O A:THR260 4.4 44.7 1.0
CB D:GLN186 4.4 45.3 1.0
OH A:TYR302 4.5 35.0 1.0
CG A:PRO303 4.6 38.2 1.0
OG1 D:THR215 4.7 48.1 1.0
OE1 D:GLN186 4.8 50.4 1.0
O A:HOH613 4.9 30.4 1.0
CD A:GLU263 4.9 52.9 1.0
CE2 D:PHE160 4.9 50.4 1.0

Chlorine binding site 2 out of 5 in 6cn1

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Chlorine binding site 2 out of 5 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 Chlorine with other atoms in the Cl 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
C:Cl504

b:51.5
occ:1.00
 N C:SER121 3.4 52.1 1.0
N C:GLU332 3.6 48.1 1.0
CA C:PHE331 3.7 43.9 1.0
CA C:GLY120 3.8 50.9 1.0
C C:PHE331 4.0 45.0 1.0
O C:ILE330 4.1 45.3 1.0
C C:GLY120 4.1 50.9 1.0
CB C:SER121 4.2 53.5 1.0
CA C:SER121 4.3 52.5 1.0
CB C:PHE331 4.4 42.0 1.0
N C:ASN333 4.4 50.4 1.0
CD1 C:PHE331 4.4 43.1 1.0
CA C:GLU332 4.6 49.4 1.0
O C:SER121 4.6 50.5 1.0
O C:ILE119 4.7 49.3 1.0
CB C:GLU332 4.7 52.8 1.0
N C:PHE331 4.8 42.7 1.0
C C:ILE330 4.8 43.4 1.0
N C:GLY120 4.9 49.6 1.0
CG C:PHE331 4.9 41.8 1.0
C C:SER121 4.9 51.1 1.0

Chlorine binding site 3 out of 5 in 6cn1

Go back to Chlorine Binding Sites List in 6cn1
Chlorine binding site 3 out of 5 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 Chlorine with other atoms in the Cl 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
F:Cl504

b:43.4
occ:1.00
 N F:ARG418 3.1 57.6 1.0
NE2 F:GLN410 3.5 58.2 1.0
CA F:ARG417 3.6 56.8 1.0
CB F:ARG417 3.8 58.3 1.0
C F:ARG417 3.8 55.9 1.0
CB F:ARG418 3.9 58.0 1.0
CA F:ARG418 4.0 58.3 1.0
O F:ARG418 4.2 62.4 1.0
CG F:GLU406 4.2 55.8 1.0
C F:ARG418 4.6 61.3 1.0
CD F:GLN410 4.6 60.1 1.0
O F:ILE416 4.8 57.4 1.0
N F:ARG417 4.9 55.5 1.0
OE1 F:GLN410 4.9 60.8 1.0

Chlorine binding site 4 out of 5 in 6cn1

Go back to Chlorine Binding Sites List in 6cn1
Chlorine binding site 4 out of 5 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 Chlorine with other atoms in the Cl 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
H:Cl504

b:69.7
occ:1.00
 NH1 H:ARG77 3.3 62.6 1.0
CG H:PRO38 4.0 64.4 1.0
CD H:PRO38 4.2 64.4 1.0
CZ H:ARG77 4.4 62.3 1.0
NH2 H:ARG77 4.8 63.8 1.0

Chlorine binding site 5 out of 5 in 6cn1

Go back to Chlorine Binding Sites List in 6cn1
Chlorine binding site 5 out of 5 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 Chlorine with other atoms in the Cl 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
H:Cl505

b:53.6
occ:1.00
 CD H:GLN186 3.9 56.5 1.0
CG E:GLU263 3.9 49.8 1.0
CB E:GLU263 3.9 47.9 1.0
OE1 H:GLN186 3.9 57.2 1.0
CB E:PRO303 4.0 40.5 1.0
CB H:GLN186 4.0 52.8 1.0
CG H:GLN186 4.0 54.5 1.0
O E:HOH616 4.1 29.0 1.0
NE2 H:GLN186 4.4 57.7 1.0
CE2 H:PHE160 4.6 55.4 1.0
O E:THR260 4.8 43.0 1.0
CG E:PRO303 4.8 41.5 1.0
CD2 H:PHE160 4.8 55.3 1.0
OH E:TYR302 4.9 40.0 1.0
CA H:GLN186 4.9 50.8 1.0
OG1 H:THR215 5.0 53.6 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: Sat Dec 12 12:50:38 2020

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