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Chlorine in PDB 1mpj: X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben and Phenol

Protein crystallography data

The structure of X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben and Phenol, PDB code: 1mpj was solved by J.L.Whittingham, E.J.Dodson, P.C.E.Moody, G.G.Dodson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.30
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 80.700, 80.700, 37.800, 90.00, 90.00, 120.00
R / Rfree (%) n/a / n/a

Other elements in 1mpj:

The structure of X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben and Phenol also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben and Phenol (pdb code 1mpj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben and Phenol, PDB code: 1mpj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1mpj

Go back to Chlorine Binding Sites List in 1mpj
Chlorine binding site 1 out of 2 in the X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben and Phenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben and Phenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl32

b:10.3
occ:0.33
ZN B:ZN31 2.2 15.7 0.3
NE2 B:HIS10 3.6 14.4 1.0
CD2 B:HIS10 4.0 12.3 1.0
CB B:LEU6 4.1 22.1 1.0
CD1 B:LEU6 4.1 26.2 1.0
CG B:LEU6 4.7 23.1 1.0
O B:LEU6 4.7 21.2 1.0
C B:LEU6 4.8 20.1 1.0
CE1 B:HIS10 4.8 14.7 1.0
CA B:LEU6 4.9 18.9 1.0

Chlorine binding site 2 out of 2 in 1mpj

Go back to Chlorine Binding Sites List in 1mpj
Chlorine binding site 2 out of 2 in the X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben and Phenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben and Phenol within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl32

b:36.7
occ:0.33
ZN D:ZN31 2.1 19.4 0.3
O D:HOH34 3.6 42.6 1.0
NE2 D:HIS10 3.6 18.1 1.0
CD2 D:HIS10 4.0 16.7 1.0
O D:HOH38 4.4 48.0 1.0
CE1 D:HIS10 4.8 14.9 1.0

Reference:

J.L.Whittingham, S.Chaudhuri, E.J.Dodson, P.C.Moody, G.G.Dodson. X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben, and Phenol. Biochemistry V. 34 15553 1995.
ISSN: ISSN 0006-2960
PubMed: 7492558
DOI: 10.1021/BI00047A022
Page generated: Sat Dec 12 08:42:49 2020

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