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Chlorine in PDB 5jvx: X-Ray Structure of the Adduct Formed in the Reaction Between Thaumatin and A Gold Carbene Compound

Protein crystallography data

The structure of X-Ray Structure of the Adduct Formed in the Reaction Between Thaumatin and A Gold Carbene Compound, PDB code: 5jvx was solved by G.Ferraro, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.03 / 1.70
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 57.912, 57.912, 150.136, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 18.7

Other elements in 5jvx:

The structure of X-Ray Structure of the Adduct Formed in the Reaction Between Thaumatin and A Gold Carbene Compound also contains other interesting chemical elements:

Gold (Au) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of the Adduct Formed in the Reaction Between Thaumatin and A Gold Carbene Compound (pdb code 5jvx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the X-Ray Structure of the Adduct Formed in the Reaction Between Thaumatin and A Gold Carbene Compound, PDB code: 5jvx:

Chlorine binding site 1 out of 1 in 5jvx

Go back to Chlorine Binding Sites List in 5jvx
Chlorine binding site 1 out of 1 in the X-Ray Structure of the Adduct Formed in the Reaction Between Thaumatin and A Gold Carbene Compound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the Adduct Formed in the Reaction Between Thaumatin and A Gold Carbene Compound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl509

b:48.0
occ:1.00
HA2 A:GLY143 2.9 32.1 1.0
O A:HOH731 3.1 37.7 1.0
O A:HOH799 3.1 48.9 1.0
O A:HOH759 3.1 63.0 1.0
H A:GLY144 3.4 25.4 1.0
HG12 A:VAL131 3.6 20.5 1.0
HG11 A:VAL131 3.8 20.5 1.0
CA A:GLY143 3.9 32.0 1.0
HG13 A:VAL131 4.0 20.4 1.0
CG1 A:VAL131 4.0 20.8 1.0
N A:GLY144 4.2 25.5 1.0
HA3 A:GLY143 4.2 32.1 1.0
O A:HOH851 4.4 47.4 1.0
O A:HOH665 4.5 43.6 1.0
C A:GLY143 4.6 28.4 1.0
O A:ALA140 4.7 28.6 1.0
N A:GLY143 4.7 36.2 1.0
H A:GLY143 4.7 35.5 1.0
O A:HOH849 5.0 58.8 1.0

Reference:

G.Ferraro, C.Gabbiani, A.Merlino. First Crystal Structure For A Gold Carbene-Protein Adduct. Bioconjug.Chem. V. 27 1584 2016.
ISSN: ISSN 1043-1802
PubMed: 27364343
DOI: 10.1021/ACS.BIOCONJCHEM.6B00298
Page generated: Sat Dec 12 11:54:30 2020

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