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Zinc in PDB 7fup: Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with Methyl 1-Benzoyl-3-Methyl-5-(1,2-Oxazol-5-Yl)Pyrazole-4-Carboxylate

Enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with Methyl 1-Benzoyl-3-Methyl-5-(1,2-Oxazol-5-Yl)Pyrazole-4-Carboxylate

All present enzymatic activity of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with Methyl 1-Benzoyl-3-Methyl-5-(1,2-Oxazol-5-Yl)Pyrazole-4-Carboxylate:
2.7.7.86;

Protein crystallography data

The structure of Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with Methyl 1-Benzoyl-3-Methyl-5-(1,2-Oxazol-5-Yl)Pyrazole-4-Carboxylate, PDB code: 7fup 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) 50.07 / 2.41
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 102.353, 102.353, 242.377, 90, 90, 120
R / Rfree (%) 17.9 / 22.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with Methyl 1-Benzoyl-3-Methyl-5-(1,2-Oxazol-5-Yl)Pyrazole-4-Carboxylate (pdb code 7fup). 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 Methyl 1-Benzoyl-3-Methyl-5-(1,2-Oxazol-5-Yl)Pyrazole-4-Carboxylate, PDB code: 7fup:

Zinc binding site 1 out of 1 in 7fup

Go back to Zinc Binding Sites List in 7fup
Zinc binding site 1 out of 1 in the Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with Methyl 1-Benzoyl-3-Methyl-5-(1,2-Oxazol-5-Yl)Pyrazole-4-Carboxylate


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 Methyl 1-Benzoyl-3-Methyl-5-(1,2-Oxazol-5-Yl)Pyrazole-4-Carboxylate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn601

b:44.0
occ:1.00
 NE2 A:HIS390 2.0 43.5 1.0
SG A:CYS397 2.2 37.3 1.0
SG A:CYS404 2.2 53.4 1.0
SG A:CYS396 2.2 34.2 1.0
CD2 A:HIS390 2.9 40.3 1.0
CE1 A:HIS390 3.1 42.0 1.0
CB A:CYS404 3.4 46.0 1.0
CB A:CYS397 3.4 36.2 1.0
CB A:CYS396 3.5 25.6 1.0
N A:CYS397 3.7 45.0 1.0
C A:CYS396 3.9 47.1 1.0
N A:CYS404 3.9 48.0 1.0
O A:HOH736 4.0 62.5 1.0
CG A:HIS390 4.1 35.6 1.0
CA A:CYS404 4.1 50.8 1.0
ND1 A:HIS390 4.1 31.1 1.0
CA A:CYS397 4.2 39.4 1.0
NH2 A:ARG406 4.2 50.0 1.0
CA A:CYS396 4.2 32.3 1.0
O A:CYS396 4.3 55.2 1.0
O A:GLU402 4.4 45.6 1.0
C A:CYS404 4.7 48.7 1.0
O A:HOH719 4.7 56.2 1.0
O A:CYS404 4.8 51.4 1.0
O A:HOH725 4.9 59.2 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 20:42:14 2024

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