Chlorine in PDB 3p33: Insulin Fibrillation Is the Janus Face of Induced Fit. A Chiral Clamp Stabilizes the Native State at the Expense of Activity

The structure of Insulin Fibrillation Is the Janus Face of Induced Fit. A Chiral Clamp Stabilizes the Native State at the Expense of Activity, PDB code: 3p33 was solved by Q.X.Hua, Z.L.Wan, K.Huang, S.Q.Hu, N.F.Phillip, W.H.Jia, J.Whittingham, G.G.Dodson, P.G.Katsoyannis, M.A.Weiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.11 / 2.30
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	77.900, 77.900, 78.300, 90.00, 90.00, 120.00
R / Rfree (%)	21.4 / 29.9

The structure of Insulin Fibrillation Is the Janus Face of Induced Fit. A Chiral Clamp Stabilizes the Native State at the Expense of Activity also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Chlorine atom in the Insulin Fibrillation Is the Janus Face of Induced Fit. A Chiral Clamp Stabilizes the Native State at the Expense of Activity (pdb code 3p33). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Insulin Fibrillation Is the Janus Face of Induced Fit. A Chiral Clamp Stabilizes the Native State at the Expense of Activity, PDB code: 3p33:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Insulin Fibrillation Is the Janus Face of Induced Fit. A Chiral Clamp Stabilizes the Native State at the Expense of Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Insulin Fibrillation Is the Janus Face of Induced Fit. A Chiral Clamp Stabilizes the Native State at the Expense of Activity within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl32 b:3.5 occ:0.33 ZN B:ZN31 2.2 2.9 0.3 NE2 B:HIS10 3.4 29.3 1.0 CB B:LEU6 3.9 27.5 1.0 CD2 B:HIS10 3.9 28.0 1.0 CD1 B:LEU6 4.1 17.5 1.0 CE1 B:HIS10 4.5 28.0 1.0 CG B:LEU6 4.5 27.6 1.0 O B:LEU6 4.7 25.1 1.0 C B:LEU6 4.8 27.8 1.0 CA B:LEU6 4.8 30.0 1.0

Chlorine binding site 2 out of 4 in the Insulin Fibrillation Is the Janus Face of Induced Fit. A Chiral Clamp Stabilizes the Native State at the Expense of Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Insulin Fibrillation Is the Janus Face of Induced Fit. A Chiral Clamp Stabilizes the Native State at the Expense of Activity within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl32 b:5.2 occ:0.33 ZN D:ZN31 2.3 6.8 0.3 NE2 D:HIS10 3.3 29.4 1.0 CB D:LEU6 4.0 36.9 1.0 CD2 D:HIS10 4.0 30.3 1.0 CD1 D:LEU6 4.3 31.6 1.0 CE1 D:HIS10 4.4 29.1 1.0 CG D:LEU6 4.7 31.1 1.0 C D:LEU6 4.9 39.8 1.0 O D:LEU6 4.9 34.5 1.0 CD2 D:LEU6 4.9 30.0 1.0 CA D:LEU6 5.0 38.7 1.0

Chlorine binding site 3 out of 4 in the Insulin Fibrillation Is the Janus Face of Induced Fit. A Chiral Clamp Stabilizes the Native State at the Expense of Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Insulin Fibrillation Is the Janus Face of Induced Fit. A Chiral Clamp Stabilizes the Native State at the Expense of Activity within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl32 b:36.2 occ:0.33 ZN F:ZN31 2.3 5.4 0.3 NE2 F:HIS10 3.5 38.4 1.0 CD2 F:HIS10 3.7 34.7 1.0 CB F:LEU6 4.0 35.3 1.0 CD1 F:LEU6 4.5 31.4 1.0 O F:LEU6 4.7 39.0 1.0 CE1 F:HIS10 4.7 36.2 1.0 CG F:LEU6 4.8 31.4 1.0 C F:LEU6 4.8 40.3 1.0 CA F:LEU6 4.9 39.2 1.0

Chlorine binding site 4 out of 4 in the Insulin Fibrillation Is the Janus Face of Induced Fit. A Chiral Clamp Stabilizes the Native State at the Expense of Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Insulin Fibrillation Is the Janus Face of Induced Fit. A Chiral Clamp Stabilizes the Native State at the Expense of Activity within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl32 b:10.6 occ:0.33 ZN H:ZN31 2.3 6.5 0.3 NE2 H:HIS10 3.3 31.1 1.0 CD2 H:HIS10 3.8 31.2 1.0 CB H:LEU6 4.0 30.0 1.0 CD1 H:LEU6 4.2 29.1 1.0 CE1 H:HIS10 4.5 35.3 1.0 CG H:LEU6 4.6 30.6 1.0 O H:LEU6 4.6 30.1 1.0 C H:LEU6 4.8 32.0 1.0 CD2 H:LEU6 4.8 31.8 1.0 CA H:LEU6 4.9 30.9 1.0

Q.X.Hua, Z.L.Wan, K.Huang, S.Q.Hu, N.F.Phillip, W.H.Jia, J.Whittingham, G.G.Dodson, P.G.Katsoyannis, M.A.Weiss. Insulin Fibrillation Is the Janus Face of Induced Fit. A Chiral Clamp Stabilizes the Native State at the Expense of Activity To Be Published.