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Zinc in PDB 7fun: Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(4-Benzylpiperazin-1-Yl)Methyl]-6-(2-Chloro-4-Methylphenyl)-1H- Benzimidazole-4-Carboxylic Acid

Enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(4-Benzylpiperazin-1-Yl)Methyl]-6-(2-Chloro-4-Methylphenyl)-1H- Benzimidazole-4-Carboxylic Acid

All present enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(4-Benzylpiperazin-1-Yl)Methyl]-6-(2-Chloro-4-Methylphenyl)-1H- Benzimidazole-4-Carboxylic Acid:
2.7.7.86;

Protein crystallography data

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(4-Benzylpiperazin-1-Yl)Methyl]-6-(2-Chloro-4-Methylphenyl)-1H- Benzimidazole-4-Carboxylic Acid, PDB code: 7fun was solved by L.Leibrock, J.Benz, K.Groebke-Zbinden, G.Galley, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.08 / 2.07
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 44.574, 59.125, 163.046, 90, 90, 90
R / Rfree (%) 24 / 29.4

Other elements in 7fun:

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(4-Benzylpiperazin-1-Yl)Methyl]-6-(2-Chloro-4-Methylphenyl)-1H- Benzimidazole-4-Carboxylic Acid also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms
Iodine (I) 7 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(4-Benzylpiperazin-1-Yl)Methyl]-6-(2-Chloro-4-Methylphenyl)-1H- Benzimidazole-4-Carboxylic Acid (pdb code 7fun). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(4-Benzylpiperazin-1-Yl)Methyl]-6-(2-Chloro-4-Methylphenyl)-1H- Benzimidazole-4-Carboxylic Acid, PDB code: 7fun:

Zinc binding site 1 out of 1 in 7fun

Go back to Zinc Binding Sites List in 7fun
Zinc binding site 1 out of 1 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(4-Benzylpiperazin-1-Yl)Methyl]-6-(2-Chloro-4-Methylphenyl)-1H- Benzimidazole-4-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(4-Benzylpiperazin-1-Yl)Methyl]-6-(2-Chloro-4-Methylphenyl)-1H- Benzimidazole-4-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn601

b:63.7
occ:1.00
 NE2 A:HIS390 2.1 56.7 1.0
SG A:CYS397 2.2 69.0 1.0
SG A:CYS396 2.3 65.8 1.0
SG A:CYS404 2.5 65.3 1.0
CD2 A:HIS390 3.0 56.4 1.0
CE1 A:HIS390 3.2 56.0 1.0
CB A:CYS404 3.3 63.0 1.0
CB A:CYS397 3.4 66.1 1.0
CB A:CYS396 3.6 62.2 1.0
N A:CYS397 3.6 67.2 1.0
C A:CYS396 3.8 67.7 1.0
O A:HOH743 3.8 57.5 1.0
N A:CYS404 3.9 69.4 1.0
CA A:CYS397 4.0 67.5 1.0
CA A:CYS404 4.1 65.9 1.0
CA A:CYS396 4.2 62.9 1.0
CG A:HIS390 4.2 54.6 1.0
O A:CYS396 4.3 64.6 1.0
ND1 A:HIS390 4.3 56.0 1.0
O A:HOH757 4.3 60.0 1.0
NH1 A:ARG406 4.5 52.4 1.0
O A:GLU402 4.5 88.5 1.0
C A:CYS404 4.7 71.0 1.0
O A:CYS404 4.8 69.2 1.0

Reference:

K.Groebke-Zbinden, A.Vandemeulebroucke, M.Hilbert, M.G.Rudolph. Crystal Structure of A Human Cyclic Gmp-Amp Synthase Complex To Be Published.
Page generated: Tue Oct 29 20:42:09 2024

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