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Zinc in the structure of Carboxypeptidase A Liganded to An Organic Small-Molecule: Conformational Changes (pdb 3kgq)

The binding sites of Zinc atom in the structure of Carboxypeptidase A Liganded to An Organic Small-Molecule: Conformational Changes (pdb code 3kgq). This binding sites where shown with 5.0 Angstroms radius around Zinc atom.
The 3kgq structure was solved by D.FERNANDEZ, E.BOIX, I.PALLARES, F.X.AVILES, J.VENDRELL, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)20.2-1.7
Space groupP1211
a (A)40.604
b (A)57.006
c (A)60.604
alpha (°)90.00
beta (°)102.04
gamma (°)90.00
Rfactor (%)18
Rfree (%)20.4

Zinc Binding Sites:

Zinc binding site 1 out of 1 in 3kgq

Zinc binding site 1 out of 1 in 3kgq
Click to enlarge
stereopicture of Zinc binding site 1 out of 1 in 3kgq
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Zinc in the PDB 3kgq. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Zinc atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: His69, A: Glu72, A: Arg127, A: His196, A: Ser197, A: Glu270, A: Cit310, A: Hoh330, A: Hoh349,

conact list:

AtomAtomDistance (A)
ZnNE2 A:His694.16
ZnN A:His694.96
ZnCB A:His693.47
ZnND1 A:His692.09
ZnCD2 A:His694.23
ZnCE1 A:His693.03
ZnCG A:His693.12
ZnCA A:His694.82
ZnOE1 A:Glu722.60
ZnOE2 A:Glu722.06
ZnCD A:Glu722.65
ZnCG A:Glu724.14
ZnCZ A:Arg1274.85
ZnNH1 A:Arg1274.06
ZnNE2 A:His1964.14
ZnCB A:His1963.53
ZnND1 A:His1962.08
ZnCD2 A:His1964.23
ZnCE1 A:His1962.99
ZnCG A:His1963.15
ZnCA A:His1964.42
ZnO A:Ser1974.11
ZnN A:Ser1974.65
ZnOE1 A:Glu2704.85
ZnC6 A:Cit3104.45
ZnO2 A:Cit3102.08
ZnC1 A:Cit3102.64
ZnO1 A:Cit3102.55
ZnC3 A:Cit3104.40
ZnO7 A:Cit3103.93
ZnO6 A:Cit3104.41
ZnC2 A:Cit3104.07
ZnO A:Hoh3304.27
ZnO A:Hoh3494.07

interactive model:

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