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Chlorine in PDB 4qj1: Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Cryptosporidium Parvum with Inhibitor N109

Enzymatic activity of Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Cryptosporidium Parvum with Inhibitor N109

All present enzymatic activity of Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Cryptosporidium Parvum with Inhibitor N109:
1.1.1.205;

Protein crystallography data

The structure of Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Cryptosporidium Parvum with Inhibitor N109, PDB code: 4qj1 was solved by Y.Kim, M.Makowska-Grzyska, M.Gu, L.Hedstrom, W.F.Anderson, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.59 / 2.42
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 90.412, 92.337, 91.914, 90.00, 104.24, 90.00
R / Rfree (%) 20.2 / 25.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Cryptosporidium Parvum with Inhibitor N109 (pdb code 4qj1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Cryptosporidium Parvum with Inhibitor N109, PDB code: 4qj1:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4qj1

Go back to Chlorine Binding Sites List in 4qj1
Chlorine binding site 1 out of 4 in the Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Cryptosporidium Parvum with Inhibitor N109


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Cryptosporidium Parvum with Inhibitor N109 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:68.5
occ:1.00
 CL A:N09502 0.0 68.5 1.0
C1 A:N09502 1.8 58.3 1.0
C2 A:N09502 2.8 58.5 1.0
C6 A:N09502 2.9 59.9 1.0
O1 A:N09502 3.2 62.3 1.0
O D:HOH628 3.4 50.6 1.0
C D:GLY357 3.4 39.0 1.0
N D:TYR358 3.6 39.1 1.0
O D:GLY357 3.6 39.7 1.0
ND1 A:HIS166 3.7 37.7 1.0
CA D:GLY357 3.8 37.3 1.0
CD D:PRO26 4.0 45.4 1.0
C3 A:N09502 4.1 58.7 1.0
CB A:HIS166 4.1 37.2 1.0
C5 A:N09502 4.1 59.9 1.0
CA D:TYR358 4.2 37.0 1.0
CG D:PRO26 4.3 43.0 1.0
CG A:HIS166 4.4 36.9 1.0
O D:VAL24 4.4 49.7 1.0
C8 A:N09502 4.4 63.5 1.0
C4 A:N09502 4.6 59.8 1.0
CE1 A:HIS166 4.8 37.9 1.0
OG D:SER22 4.8 52.1 1.0
CG D:TYR358 4.8 36.3 1.0
O D:SER354 4.9 44.5 1.0
CD1 D:TYR358 5.0 37.6 1.0

Chlorine binding site 2 out of 4 in 4qj1

Go back to Chlorine Binding Sites List in 4qj1
Chlorine binding site 2 out of 4 in the Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Cryptosporidium Parvum with Inhibitor N109


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Cryptosporidium Parvum with Inhibitor N109 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:82.0
occ:1.00
 CL B:N09502 0.0 82.0 1.0
C1 B:N09502 1.8 52.6 1.0
C2 B:N09502 2.8 51.8 1.0
C6 B:N09502 2.9 53.1 1.0
O1 B:N09502 3.1 52.7 1.0
C A:GLY357 3.3 43.5 1.0
O A:GLY357 3.4 44.0 1.0
ND1 B:HIS166 3.6 36.9 1.0
N A:TYR358 3.6 42.5 1.0
CA A:GLY357 3.6 44.1 1.0
C8 B:N09502 3.7 53.2 1.0
C3 B:N09502 4.1 52.3 1.0
CB B:HIS166 4.1 36.5 1.0
O A:VAL24 4.1 50.5 1.0
C5 B:N09502 4.1 53.9 1.0
CA A:TYR358 4.2 41.9 1.0
CG B:HIS166 4.3 36.2 1.0
CD A:PRO26 4.4 48.3 1.0
OG A:SER22 4.5 46.4 1.0
CG A:PRO26 4.6 45.3 1.0
C4 B:N09502 4.6 54.0 1.0
CE1 B:HIS166 4.7 35.5 1.0
CG A:TYR358 4.9 44.8 1.0
CB A:SER22 4.9 45.0 1.0
N A:GLY357 5.0 44.4 1.0

Chlorine binding site 3 out of 4 in 4qj1

Go back to Chlorine Binding Sites List in 4qj1
Chlorine binding site 3 out of 4 in the Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Cryptosporidium Parvum with Inhibitor N109


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Cryptosporidium Parvum with Inhibitor N109 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:71.3
occ:1.00
 CL B:N09503 0.0 71.3 1.0
C1 B:N09503 1.8 54.4 1.0
C2 B:N09503 2.8 53.4 1.0
C6 B:N09503 2.9 56.3 1.0
O1 B:N09503 3.2 59.4 1.0
O B:GLY357 3.2 39.1 1.0
C B:GLY357 3.2 39.5 1.0
O B:HOH615 3.3 58.2 1.0
CD2 C:HIS166 3.5 36.9 1.0
N B:TYR358 3.6 38.8 1.0
CA B:GLY357 3.7 40.5 1.0
O B:VAL24 4.0 48.9 1.0
CA B:TYR358 4.1 36.4 1.0
C3 B:N09503 4.1 53.7 1.0
C8 B:N09503 4.1 60.8 1.0
CB C:HIS166 4.1 38.1 1.0
C5 B:N09503 4.1 55.5 1.0
CG C:HIS166 4.1 36.9 1.0
CD B:PRO26 4.2 52.6 1.0
OG B:SER22 4.3 47.6 1.0
CB B:SER22 4.6 45.5 1.0
NE2 C:HIS166 4.6 36.1 1.0
C4 B:N09503 4.6 55.6 1.0
CG B:PRO26 4.8 51.4 1.0
CG B:TYR358 4.8 35.4 1.0
CD1 B:TYR358 4.8 35.1 1.0
O B:SER354 4.9 38.9 1.0

Chlorine binding site 4 out of 4 in 4qj1

Go back to Chlorine Binding Sites List in 4qj1
Chlorine binding site 4 out of 4 in the Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Cryptosporidium Parvum with Inhibitor N109


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Cryptosporidium Parvum with Inhibitor N109 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl502

b:65.7
occ:1.00
 CL D:N09502 0.0 65.7 1.0
C1 D:N09502 1.8 46.6 1.0
C2 D:N09502 2.8 46.3 1.0
C6 D:N09502 2.8 48.7 1.0
O1 D:N09502 3.0 52.8 1.0
O D:HOH627 3.4 54.1 1.0
C C:GLY357 3.5 40.6 1.0
ND1 D:HIS166 3.5 36.6 1.0
O C:GLY357 3.6 42.1 1.0
N C:TYR358 3.7 37.6 1.0
C8 D:N09502 3.8 55.1 1.0
CB D:HIS166 3.8 36.5 1.0
CA C:GLY357 3.9 40.8 1.0
C3 D:N09502 4.1 46.1 1.0
C5 D:N09502 4.1 47.7 1.0
CG D:HIS166 4.1 36.1 1.0
CA C:TYR358 4.2 35.5 1.0
O C:VAL24 4.3 45.1 1.0
CD C:PRO26 4.3 47.7 1.0
OG C:SER22 4.5 41.7 1.0
C4 D:N09502 4.6 47.6 1.0
CG C:PRO26 4.6 45.9 1.0
CE1 D:HIS166 4.6 34.9 1.0
CG C:TYR358 4.8 36.0 1.0
CD1 C:TYR358 4.8 37.1 1.0
O C:SER354 5.0 37.7 1.0

Reference:

Y.Kim, M.Makowska-Grzyska, M.Gu, L.Hedstrom, W.F.Anderson, A.Joachimiak. Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Cryptosporidium Parvum with Inhibitor N109 To Be Published.
Page generated: Sat Dec 12 11:05:39 2020

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