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Chlorine in PDB 5hrq: Insulin with Proline Analog Hzp at Position B28 in the R6 State

Protein crystallography data

The structure of Insulin with Proline Analog Hzp at Position B28 in the R6 State, PDB code: 5hrq was solved by S.A.Lieblich, K.Y.Fang, J.K.B.Cahn, D.A.Tirrell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 56.70 / 1.28
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.156, 60.680, 60.665, 90.00, 110.82, 90.00
R / Rfree (%) 13.5 / 16.8

Other elements in 5hrq:

The structure of Insulin with Proline Analog Hzp at Position B28 in the R6 State also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Insulin with Proline Analog Hzp at Position B28 in the R6 State (pdb code 5hrq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Insulin with Proline Analog Hzp at Position B28 in the R6 State, PDB code: 5hrq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5hrq

Go back to Chlorine Binding Sites List in 5hrq
Chlorine binding site 1 out of 2 in the Insulin with Proline Analog Hzp at Position B28 in the R6 State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Insulin with Proline Analog Hzp at Position B28 in the R6 State within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl101

b:14.5
occ:1.00
ZN B:ZN301 2.2 12.7 1.0
O F:HOH213 3.5 34.0 1.0
NE2 B:HIS10 3.5 14.2 1.0
NE2 J:HIS10 3.5 12.7 1.0
NE2 F:HIS10 3.5 12.9 1.0
CB B:LEU6 3.8 13.4 1.0
CB F:LEU6 3.8 17.2 1.0
CB J:LEU6 3.8 14.8 1.0
CD1 J:LEU6 3.9 19.3 1.0
CD2 B:HIS10 4.0 12.4 1.0
CD2 J:HIS10 4.0 12.0 1.0
CD2 F:HIS10 4.0 12.6 1.0
CD1 F:LEU6 4.1 20.5 1.0
CD1 B:LEU6 4.1 17.7 1.0
CG J:LEU6 4.4 16.0 1.0
CG F:LEU6 4.5 17.7 1.0
CG B:LEU6 4.5 15.4 1.0
CE1 B:HIS10 4.6 20.2 1.0
CE1 J:HIS10 4.6 16.2 1.0
CE1 F:HIS10 4.6 16.1 1.0
O B:LEU6 4.8 14.1 1.0
C B:LEU6 4.8 13.0 1.0
CA B:LEU6 4.8 13.3 1.0
CA F:LEU6 4.8 15.3 1.0
O F:LEU6 4.9 16.2 1.0
C F:LEU6 4.9 15.3 1.0
CA J:LEU6 4.9 12.2 1.0
O J:LEU6 4.9 13.5 1.0
CD2 F:LEU6 4.9 19.5 1.0
C J:LEU6 4.9 12.3 1.0
CD2 J:LEU6 5.0 16.5 1.0

Chlorine binding site 2 out of 2 in 5hrq

Go back to Chlorine Binding Sites List in 5hrq
Chlorine binding site 2 out of 2 in the Insulin with Proline Analog Hzp at Position B28 in the R6 State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Insulin with Proline Analog Hzp at Position B28 in the R6 State within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl101

b:14.5
occ:1.00
ZN D:ZN101 2.2 12.3 1.0
NE2 H:HIS10 3.5 12.9 1.0
NE2 L:HIS10 3.5 11.8 1.0
NE2 D:HIS10 3.6 12.3 1.0
CB L:LEU6 3.8 14.1 1.0
CB H:LEU6 3.8 14.5 1.0
CB D:LEU6 3.8 14.6 1.0
CD2 H:HIS10 3.9 11.4 1.0
CD1 L:LEU6 3.9 19.6 1.0
CD2 L:HIS10 4.0 11.2 1.0
CD2 D:HIS10 4.0 12.4 1.0
CD1 H:LEU6 4.1 20.3 1.0
CD1 D:LEU6 4.1 18.7 1.0
CG L:LEU6 4.4 15.3 1.0
CG H:LEU6 4.5 18.4 1.0
CG D:LEU6 4.5 15.6 1.0
CE1 H:HIS10 4.6 17.7 1.0
CE1 L:HIS10 4.6 15.9 1.0
CE1 D:HIS10 4.6 15.7 1.0
O H:LEU6 4.7 14.2 1.0
C H:LEU6 4.8 12.4 1.0
O D:LEU6 4.8 15.7 1.0
CA H:LEU6 4.8 13.8 1.0
CA L:LEU6 4.8 12.1 1.0
CD2 L:LEU6 4.8 18.3 1.0
C D:LEU6 4.9 13.9 1.0
CA D:LEU6 4.9 14.7 1.0
O L:LEU6 4.9 13.1 1.0
C L:LEU6 4.9 12.2 1.0

Reference:

S.A.Lieblich, K.Y.Fang, J.K.B.Cahn, J.Rawson, J.Lebon, H.T.Ku, D.A.Tirrell. 4S-Hydroxylation of Insulin at PROB28 Accelerates Hexamer Dissociation and Delays Fibrillation. J. Am. Chem. Soc. V. 139 8384 2017.
ISSN: ESSN 1520-5126
PubMed: 28598606
DOI: 10.1021/JACS.7B00794
Page generated: Sat Dec 12 11:49:15 2020

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