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Chlorine in PDB 6nkj: 1.3 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Streptococcus Pneumoniae in Complex with (2R)-2-(Phosphonooxy)Propanoic Acid.

Enzymatic activity of 1.3 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Streptococcus Pneumoniae in Complex with (2R)-2-(Phosphonooxy)Propanoic Acid.

All present enzymatic activity of 1.3 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Streptococcus Pneumoniae in Complex with (2R)-2-(Phosphonooxy)Propanoic Acid.:
2.5.1.7;

Protein crystallography data

The structure of 1.3 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Streptococcus Pneumoniae in Complex with (2R)-2-(Phosphonooxy)Propanoic Acid., PDB code: 6nkj was solved by G.Minasov, L.Shuvalova, I.Dubrovska, O.Kiryukhina, 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) 27.77 / 1.30
Space group P 32
Cell size a, b, c (Å), α, β, γ (°) 120.713, 120.713, 70.614, 90.00, 90.00, 120.00
R / Rfree (%) 14.5 / 15.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.3 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Streptococcus Pneumoniae in Complex with (2R)-2-(Phosphonooxy)Propanoic Acid. (pdb code 6nkj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 1.3 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Streptococcus Pneumoniae in Complex with (2R)-2-(Phosphonooxy)Propanoic Acid., PDB code: 6nkj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6nkj

Go back to Chlorine Binding Sites List in 6nkj
Chlorine binding site 1 out of 2 in the 1.3 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Streptococcus Pneumoniae in Complex with (2R)-2-(Phosphonooxy)Propanoic Acid.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.3 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Streptococcus Pneumoniae in Complex with (2R)-2-(Phosphonooxy)Propanoic Acid. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:27.9
occ:1.00
 OG A:SER115 2.8 14.5 1.0
NH2 B:ARG344 2.9 14.0 1.0
O B:HOH1087 3.1 16.1 0.5
O A:GLY146 3.1 14.1 1.0
NH1 B:ARG344 3.3 13.9 1.0
CE2 A:TYR147 3.4 15.0 1.0
C A:GLY146 3.4 14.1 1.0
O A:HOH917 3.5 17.6 1.0
CZ B:ARG344 3.5 13.6 1.0
CD2 A:TYR147 3.6 14.7 1.0
CA A:GLY146 3.6 14.3 1.0
CD1 A:TYR89 3.7 16.2 1.0
CZ A:TYR147 3.7 15.2 1.0
CB A:TYR89 3.8 15.8 1.0
CB A:SER115 3.8 13.7 1.0
O A:ALA145 4.0 16.8 1.0
CG A:TYR89 4.1 15.8 1.0
CG A:TYR147 4.2 14.1 1.0
N A:TYR147 4.2 13.8 1.0
OH A:TYR147 4.2 17.6 1.0
CE1 A:TYR147 4.2 15.0 1.0
CA A:SER115 4.3 13.8 1.0
CD1 A:TYR147 4.4 14.6 1.0
CA A:TYR89 4.6 15.7 1.0
CE1 A:TYR89 4.7 17.1 1.0
N A:GLY146 4.7 14.8 1.0
CA A:TYR147 4.7 13.8 1.0
O A:HOH649 4.8 31.9 1.0
NE B:ARG344 4.8 13.9 1.0
C A:ALA145 4.8 15.7 1.0
N A:MET116 4.8 13.8 1.0
O A:HOH709 4.8 16.3 1.0
N A:TYR89 5.0 14.7 1.0

Chlorine binding site 2 out of 2 in 6nkj

Go back to Chlorine Binding Sites List in 6nkj
Chlorine binding site 2 out of 2 in the 1.3 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Streptococcus Pneumoniae in Complex with (2R)-2-(Phosphonooxy)Propanoic Acid.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.3 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Streptococcus Pneumoniae in Complex with (2R)-2-(Phosphonooxy)Propanoic Acid. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:22.6
occ:1.00
 ND2 B:ASN203 3.2 13.3 1.0
O B:HOH1074 3.3 21.3 1.0
O B:HOH972 3.4 25.9 0.7
CG1 B:ILE200 3.9 13.2 1.0
CA B:ILE200 3.9 11.9 1.0
O B:HOH972 4.0 18.3 0.3
CG B:ASN203 4.1 13.1 1.0
CB B:ASN203 4.1 12.1 1.0
N B:ILE200 4.3 11.7 1.0
O B:ALA199 4.3 11.6 1.0
CB B:ILE200 4.4 12.6 1.0
C B:ALA199 4.5 11.4 1.0
O B:HOH998 4.6 16.4 1.0
O B:HOH1246 4.6 32.8 1.0
C B:ILE200 5.0 12.0 1.0
O B:ILE200 5.0 11.9 1.0

Reference:

G.Minasov, L.Shuvalova, I.Dubrovska, O.Kiryukhina, S.Grimshaw, K.Kwon, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.3 Angstrom Resolution Crystal Structure of Udp-N-Acetylglucosamine 1-Carboxyvinyltransferase From Streptococcus Pneumoniae in Complex with (2R)-2-(Phosphonooxy)Propanoic Acid. To Be Published.
Page generated: Mon Jul 29 12:04:23 2024

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