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Chlorine in PDB 2oly: Structure of Human Insulin in Presence of Urea at pH 7.0

Protein crystallography data

The structure of Structure of Human Insulin in Presence of Urea at pH 7.0, PDB code: 2oly was solved by M.Norrman, G.Schluckebier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.57 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 100.240, 60.150, 62.920, 90.00, 116.21, 90.00
R / Rfree (%) 18.4 / 22.1

Other elements in 2oly:

The structure of Structure of Human Insulin in Presence of Urea at pH 7.0 also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Human Insulin in Presence of Urea at pH 7.0 (pdb code 2oly). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Structure of Human Insulin in Presence of Urea at pH 7.0, PDB code: 2oly:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 2oly

Go back to Chlorine Binding Sites List in 2oly
Chlorine binding site 1 out of 5 in the Structure of Human Insulin in Presence of Urea at pH 7.0


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Insulin in Presence of Urea at pH 7.0 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:18.5
occ:1.00
ZN B:ZN302 2.2 17.0 1.0
O F:HOH716 3.3 39.6 1.0
NE2 F:HIS10 3.4 16.5 1.0
NE2 B:HIS10 3.4 18.3 1.0
NE2 D:HIS10 3.4 20.7 1.0
CB F:LEU6 3.7 17.0 1.0
CB B:LEU6 3.8 19.1 1.0
CD2 B:HIS10 3.8 19.6 1.0
CB D:LEU6 3.8 18.6 1.0
CD2 F:HIS10 3.9 18.5 1.0
CD2 D:HIS10 3.9 17.4 1.0
CD1 F:LEU6 3.9 21.0 1.0
CD1 B:LEU6 4.0 20.4 1.0
CD1 D:LEU6 4.1 24.2 1.0
CG F:LEU6 4.3 17.1 1.0
CG B:LEU6 4.4 19.6 1.0
CE1 D:HIS10 4.5 19.9 1.0
CE1 F:HIS10 4.5 23.1 1.0
CG D:LEU6 4.5 20.5 1.0
CE1 B:HIS10 4.5 19.9 1.0
O D:LEU6 4.7 18.4 1.0
CA F:LEU6 4.8 17.3 1.0
C D:LEU6 4.8 18.6 1.0
CA D:LEU6 4.8 18.0 1.0
O B:LEU6 4.8 18.3 1.0
CA B:LEU6 4.8 17.9 1.0
O F:LEU6 4.8 18.0 1.0
C F:LEU6 4.9 17.9 1.0
O B:HOH516 4.9 32.7 1.0
C B:LEU6 4.9 18.5 1.0
CD2 F:LEU6 4.9 19.9 1.0
CD2 D:LEU6 5.0 22.3 1.0

Chlorine binding site 2 out of 5 in 2oly

Go back to Chlorine Binding Sites List in 2oly
Chlorine binding site 2 out of 5 in the Structure of Human Insulin in Presence of Urea at pH 7.0


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Human Insulin in Presence of Urea at pH 7.0 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl404

b:30.4
occ:1.00
O F:HOH715 3.0 29.2 1.0
O C:HOH611 3.3 34.9 1.0
N F:HIS5 3.4 16.6 1.0
O F:HOH720 3.5 43.3 1.0
CA F:VAL2 3.5 18.2 1.0
C F:VAL2 3.6 18.3 1.0
CB F:HIS5 3.7 17.2 1.0
O F:VAL2 3.8 16.6 1.0
N F:GLN4 3.9 19.1 1.0
CB F:GLN4 4.0 20.8 1.0
CB F:VAL2 4.0 18.8 1.0
CA F:HIS5 4.1 16.7 1.0
N F:ASN3 4.2 18.3 1.0
C F:GLN4 4.3 17.4 1.0
CA F:GLN4 4.3 19.7 1.0
O F:PHE1 4.3 21.1 1.0
CG1 F:VAL2 4.3 20.4 1.0
N F:VAL2 4.7 19.0 1.0
C F:ASN3 4.8 19.0 1.0
CB C:ILE10 4.8 27.1 1.0
CG F:GLN4 4.9 26.2 1.0
C F:PHE1 4.9 20.3 1.0
CG F:HIS5 5.0 19.8 1.0
O C:HOH616 5.0 39.8 1.0

Chlorine binding site 3 out of 5 in 2oly

Go back to Chlorine Binding Sites List in 2oly
Chlorine binding site 3 out of 5 in the Structure of Human Insulin in Presence of Urea at pH 7.0


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Human Insulin in Presence of Urea at pH 7.0 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl401

b:20.5
occ:1.00
ZN H:ZN301 2.2 19.7 1.0
NE2 L:HIS10 3.5 22.1 1.0
NE2 J:HIS10 3.5 19.9 1.0
NE2 H:HIS10 3.5 17.6 1.0
CB H:LEU6 3.7 17.1 1.0
CB L:LEU6 3.8 21.5 1.0
CB J:LEU6 3.8 20.5 1.0
CD1 H:LEU6 3.8 20.9 1.0
CD1 J:LEU6 3.8 23.1 1.0
CD2 J:HIS10 3.9 20.2 1.0
CD2 H:HIS10 3.9 17.2 1.0
CD2 L:HIS10 3.9 19.2 1.0
CD1 L:LEU6 4.1 27.9 1.0
CG J:LEU6 4.3 20.9 1.0
CG H:LEU6 4.4 20.1 1.0
CG L:LEU6 4.5 24.8 1.0
CE1 L:HIS10 4.5 24.8 1.0
CE1 J:HIS10 4.6 22.2 1.0
CE1 H:HIS10 4.6 21.2 1.0
O H:LEU6 4.7 18.9 1.0
CA H:LEU6 4.7 17.9 1.0
C H:LEU6 4.8 18.7 1.0
O J:LEU6 4.8 20.4 1.0
O L:LEU6 4.8 22.3 1.0
CA J:LEU6 4.8 20.2 1.0
C L:LEU6 4.9 22.0 1.0
CA L:LEU6 4.9 21.6 1.0
C J:LEU6 4.9 21.0 1.0
CD2 J:LEU6 5.0 22.4 1.0

Chlorine binding site 4 out of 5 in 2oly

Go back to Chlorine Binding Sites List in 2oly
Chlorine binding site 4 out of 5 in the Structure of Human Insulin in Presence of Urea at pH 7.0


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Human Insulin in Presence of Urea at pH 7.0 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl405

b:36.2
occ:1.00
N H:HIS5 3.1 19.1 1.0
C H:VAL2 3.4 24.1 1.0
CA H:VAL2 3.4 24.9 1.0
N H:GLN4 3.4 22.0 1.0
CD1 K:ILE10 3.6 32.6 1.0
O H:VAL2 3.7 22.3 1.0
N H:ASN3 3.8 23.4 1.0
CB H:HIS5 3.8 19.3 1.0
CG1 K:ILE10 3.8 32.7 1.0
CB H:GLN4 3.8 23.2 1.0
CA H:GLN4 3.9 22.4 1.0
CB H:VAL2 4.0 25.1 1.0
C H:GLN4 4.0 20.9 1.0
CA H:HIS5 4.0 19.3 1.0
C H:ASN3 4.3 22.7 1.0
CG1 H:VAL2 4.5 25.2 1.0
O H:PHE1 4.6 26.1 1.0
CA H:ASN3 4.6 23.6 1.0
O H:HOH417 4.6 58.3 1.0
N H:VAL2 4.7 25.5 1.0
CG H:GLN4 4.9 27.4 1.0

Chlorine binding site 5 out of 5 in 2oly

Go back to Chlorine Binding Sites List in 2oly
Chlorine binding site 5 out of 5 in the Structure of Human Insulin in Presence of Urea at pH 7.0


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Human Insulin in Presence of Urea at pH 7.0 within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl403

b:36.9
occ:1.00
O J:HOH508 3.2 43.1 1.0
N J:HIS5 3.3 22.8 1.0
O G:HOH611 3.4 38.1 1.0
CA J:VAL2 3.5 23.1 1.0
CB J:HIS5 3.7 21.3 1.0
C J:VAL2 3.7 22.9 1.0
N J:GLN4 3.8 23.6 1.0
CB J:VAL2 3.9 23.8 1.0
CB J:GLN4 4.0 25.9 1.0
CA J:HIS5 4.1 21.9 1.0
N J:ASN3 4.1 22.5 1.0
O J:VAL2 4.1 20.2 1.0
C J:GLN4 4.2 23.7 1.0
CA J:GLN4 4.2 25.1 1.0
O J:PHE1 4.5 27.6 1.0
CG1 J:VAL2 4.5 23.9 1.0
C J:ASN3 4.6 23.7 1.0
N J:VAL2 4.8 24.9 1.0
CB G:ILE10 4.8 25.7 1.0
CG J:HIS5 5.0 24.3 1.0
CA J:ASN3 5.0 24.0 1.0
O J:HOH525 5.0 51.3 1.0
O J:HOH520 5.0 36.1 1.0

Reference:

M.Norrman, G.Schluckebier. Crystallographic Characterization of Two Novel Crystal Forms of Human Insulin Induced By Chaotropic Agents and A Shift in pH. Bmc Struct.Biol. V. 7 83 2007.
ISSN: ESSN 1472-6807
PubMed: 18093308
DOI: 10.1186/1472-6807-7-83
Page generated: Sat Dec 12 09:13:34 2020

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