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Zinc in PDB 7ftz: Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-[3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Anilino]-1,3-Thiazol- 4-Yl]Acetic Acid

Enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-[3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Anilino]-1,3-Thiazol- 4-Yl]Acetic Acid

All present enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-[3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Anilino]-1,3-Thiazol- 4-Yl]Acetic Acid:
2.7.7.86;

Protein crystallography data

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-[3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Anilino]-1,3-Thiazol- 4-Yl]Acetic Acid, PDB code: 7ftz was solved by L.Leibrock, J.Benz, K.Groebke-Zbinden, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 83.27 / 2.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 219.007, 46.955, 88.973, 90, 110.62, 90
R / Rfree (%) 22.3 / 27.2

Other elements in 7ftz:

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-[3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Anilino]-1,3-Thiazol- 4-Yl]Acetic Acid also contains other interesting chemical elements:

Bromine (Br) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-[3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Anilino]-1,3-Thiazol- 4-Yl]Acetic Acid (pdb code 7ftz). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-[3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Anilino]-1,3-Thiazol- 4-Yl]Acetic Acid, PDB code: 7ftz:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 7ftz

Go back to Zinc Binding Sites List in 7ftz
Zinc binding site 1 out of 2 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-[3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Anilino]-1,3-Thiazol- 4-Yl]Acetic 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- [2-[3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Anilino]-1,3-Thiazol- 4-Yl]Acetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn601

b:48.7
occ:1.00
 SG A:CYS404 2.2 47.0 1.0
NE2 A:HIS390 2.3 44.0 1.0
SG A:CYS396 2.5 46.0 1.0
SG A:CYS397 2.5 48.5 1.0
CD2 A:HIS390 2.9 44.2 1.0
CB A:CYS404 3.3 43.1 1.0
CE1 A:HIS390 3.5 43.6 1.0
O A:HOH740 3.5 30.7 1.0
CB A:CYS397 3.6 45.0 1.0
CB A:CYS396 3.8 42.8 1.0
N A:CYS397 4.0 45.2 1.0
N A:CYS404 4.0 45.2 1.0
C A:CYS396 4.0 48.5 1.0
CA A:CYS404 4.1 43.0 1.0
CG A:HIS390 4.2 42.6 1.0
NH1 A:ARG406 4.3 38.1 1.0
CA A:CYS397 4.3 45.3 1.0
O A:CYS396 4.4 48.5 1.0
CA A:CYS396 4.4 43.3 1.0
ND1 A:HIS390 4.5 44.3 1.0
C A:CYS404 4.7 44.0 1.0
O A:CYS404 5.0 43.1 1.0

Zinc binding site 2 out of 2 in 7ftz

Go back to Zinc Binding Sites List in 7ftz
Zinc binding site 2 out of 2 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-[3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Anilino]-1,3-Thiazol- 4-Yl]Acetic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-[3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Anilino]-1,3-Thiazol- 4-Yl]Acetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn601

b:53.5
occ:1.00
 NE2 B:HIS390 2.2 41.1 1.0
SG B:CYS404 2.5 46.0 1.0
SG B:CYS396 2.5 45.0 1.0
SG B:CYS397 2.5 47.5 1.0
CD2 B:HIS390 2.9 41.6 1.0
CE1 B:HIS390 3.4 41.1 1.0
CB B:CYS404 3.4 42.2 1.0
CB B:CYS397 3.9 44.3 1.0
O B:HOH715 3.9 35.1 1.0
CB B:CYS396 3.9 41.5 1.0
N B:CYS404 4.0 43.6 1.0
CG B:HIS390 4.1 40.9 1.0
C B:CYS396 4.1 47.8 1.0
CA B:CYS404 4.2 42.1 1.0
NH1 B:ARG406 4.2 33.8 1.0
N B:CYS397 4.3 44.7 1.0
O B:CYS396 4.3 48.5 1.0
ND1 B:HIS390 4.4 42.0 1.0
CA B:CYS396 4.6 42.4 1.0
CA B:CYS397 4.6 45.0 1.0
O B:GLU402 4.6 55.1 1.0
C B:CYS404 4.6 43.9 1.0
O B:CYS404 4.9 43.3 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 20:39:08 2024

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