Chlorine in PDB 1g7b: 1.3 A Structure of T3R3 Human Insulin at 100 K

The structure of 1.3 A Structure of T3R3 Human Insulin at 100 K, PDB code: 1g7b was solved by G.D.Smith, W.A.Pangborn, R.H.Blessing, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.80 / 1.30
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	80.050, 80.050, 71.459, 90.00, 90.00, 120.00
R / Rfree (%)	17.6 / 20.4

The structure of 1.3 A Structure of T3R3 Human Insulin at 100 K also contains other interesting chemical elements:

Zinc

(Zn)

7 atoms

The binding sites of Chlorine atom in the 1.3 A Structure of T3R3 Human Insulin at 100 K (pdb code 1g7b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the 1.3 A Structure of T3R3 Human Insulin at 100 K, PDB code: 1g7b:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the 1.3 A Structure of T3R3 Human Insulin at 100 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.3 A Structure of T3R3 Human Insulin at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl902 b:19.9 occ:0.33 ZN B:ZN901 2.2 11.9 0.3 NE2 B:HIS10 3.5 12.1 1.0 HD2 B:HIS10 3.6 12.0 1.0 CD2 B:HIS10 3.9 11.5 1.0 CE1 B:HIS10 4.7 12.7 1.0 O B:HOH1271 4.8 40.1 1.0

Chlorine binding site 2 out of 7 in the 1.3 A Structure of T3R3 Human Insulin at 100 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.3 A Structure of T3R3 Human Insulin at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl912 b:14.5 occ:0.15 O D:HOH1814 1.3 14.9 0.2 ZN D:ZN911 2.2 12.0 0.1 HB3 D:LEU6 2.7 12.6 1.0 HD11 D:LEU6 2.9 15.8 1.0 HD13 D:LEU6 3.4 14.5 1.0 NE2 D:HIS10 3.5 10.7 0.5 O D:HOH971 3.5 12.4 0.6 CD1 D:LEU6 3.5 15.4 1.0 HD2 D:HIS10 3.6 12.7 0.5 CB D:LEU6 3.7 11.3 1.0 HD22 D:LEU6 3.9 15.4 1.0 CD2 D:HIS10 3.9 13.2 0.5 HB2 D:LEU6 4.0 12.2 1.0 CG D:LEU6 4.1 13.9 1.0 O D:HOH1150 4.2 23.8 0.3 CD2 D:LEU6 4.4 13.6 1.0 HD21 D:LEU6 4.4 14.7 1.0 HD12 D:LEU6 4.5 15.8 1.0 CE1 D:HIS10 4.6 14.8 0.5 CA D:LEU6 4.8 10.1 1.0 HE1 D:HIS10 4.9 15.4 0.5 O D:LEU6 4.9 11.7 1.0 C D:LEU6 4.9 10.4 1.0 HA D:LEU6 4.9 8.4 1.0

Chlorine binding site 3 out of 7 in the 1.3 A Structure of T3R3 Human Insulin at 100 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.3 A Structure of T3R3 Human Insulin at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl922 b:10.8 occ:0.55 ZN D:ZN921 2.2 10.0 0.6 HD2 D:HIS10 3.0 9.0 0.6 HD12 C:LEU16 3.1 14.3 1.0 HD22 D:LEU11 3.1 15.8 1.0 O C:HOH1114 3.3 15.2 1.0 NE2 D:HIS10 3.4 8.0 0.6 CD2 D:HIS10 3.5 7.2 0.6 HB3 D:ALA14 3.7 10.5 1.0 HD23 C:LEU16 3.8 15.9 1.0 CL D:CL923 3.8 19.2 0.6 HB1 D:ALA14 3.9 8.2 1.0 HB2 D:ALA14 4.0 8.3 1.0 CD2 D:LEU11 4.1 14.8 1.0 CB D:ALA14 4.1 10.9 1.0 CD1 C:LEU16 4.1 13.7 1.0 HG23 C:ILE10 4.2 21.8 1.0 HD21 D:LEU11 4.2 14.7 1.0 HA D:LEU11 4.2 8.5 1.0 HD21 C:LEU16 4.3 16.2 1.0 HD11 C:LEU16 4.4 13.7 1.0 H C:CYS11 4.4 18.6 1.0 HD23 D:LEU11 4.4 15.8 1.0 O C:HOH1935 4.4 15.2 0.3 O C:CYS11 4.4 19.6 1.0 CD2 C:LEU16 4.5 15.7 1.0 HB2 C:CYS11 4.5 17.2 1.0 CE1 D:HIS10 4.7 9.7 0.6 HD13 C:LEU16 4.7 12.6 1.0 CG C:LEU16 4.8 12.9 1.0 CG D:HIS10 4.9 7.7 0.6 HG C:LEU16 4.9 14.6 1.0 HB3 C:CYS6 5.0 14.6 1.0 HB3 D:HIS10 5.0 10.7 0.5

Chlorine binding site 4 out of 7 in the 1.3 A Structure of T3R3 Human Insulin at 100 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.3 A Structure of T3R3 Human Insulin at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl923 b:19.2 occ:0.55 ZN D:ZN921 2.2 10.0 0.6 NE2 D:HIS10 3.4 8.0 0.6 HE1 D:HIS10 3.5 9.1 0.6 CL D:CL922 3.8 10.8 0.6 CE1 D:HIS10 3.8 9.7 0.6 HB3 D:ALA14 4.0 10.5 1.0 O D:HOH1179 4.4 29.0 1.0 HB2 D:ALA14 4.6 8.3 1.0 CD2 D:HIS10 4.7 7.2 0.6 CB D:ALA14 4.8 10.9 1.0

Chlorine binding site 5 out of 7 in the 1.3 A Structure of T3R3 Human Insulin at 100 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 1.3 A Structure of T3R3 Human Insulin at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl1101 b:18.3 occ:1.00 HG1 F:THR30 2.2 26.2 1.0 H F:LYS29 2.3 18.9 1.0 H E:GLU4 2.5 15.9 1.0 H E:VAL3 2.6 12.3 1.0 HB E:VAL3 2.7 15.7 1.0 HA3 E:GLY1 2.7 15.1 1.0 H2 E:GLY1 2.7 16.5 1.0 H F:THR30 3.0 24.2 1.0 OG1 F:THR30 3.1 26.5 1.0 HB2 F:LYS29 3.2 20.7 1.0 CA E:GLY1 3.2 15.2 1.0 C E:GLY1 3.2 13.7 1.0 N F:LYS29 3.2 18.2 1.0 N E:VAL3 3.3 11.3 1.0 HG22 F:THR30 3.3 25.0 1.0 N E:GLY1 3.4 18.1 1.0 N E:GLU4 3.4 12.8 1.0 HA F:PRO28 3.5 15.8 1.0 N F:THR30 3.5 22.5 1.0 CB E:VAL3 3.6 14.7 1.0 O E:GLY1 3.6 14.6 1.0 N E:ILE2 3.7 12.2 1.0 HB3 E:GLU4 3.7 17.6 1.0 H E:ILE2 3.8 14.3 1.0 HG2 F:LYS29 3.8 23.9 1.0 HG22 E:VAL3 3.8 16.4 1.0 CA E:VAL3 3.8 12.8 1.0 HB2 E:GLU4 3.8 16.4 1.0 H1 E:GLY1 3.8 18.2 1.0 CA F:LYS29 3.9 17.9 1.0 CB F:LYS29 3.9 22.8 1.0 C F:LYS29 3.9 21.7 1.0 CB F:THR30 4.0 24.3 1.0 CG2 F:THR30 4.1 25.3 1.0 C E:VAL3 4.1 14.1 1.0 CB E:GLU4 4.2 16.7 1.0 HG23 E:ILE2 4.2 12.0 1.0 HA2 E:GLY1 4.2 14.8 1.0 C E:ILE2 4.2 11.3 1.0 H3 E:GLY1 4.2 17.5 1.0 C F:PRO28 4.2 17.0 1.0 CG2 E:VAL3 4.2 15.6 1.0 CA F:THR30 4.3 26.1 1.0 CA F:PRO28 4.3 15.3 1.0 CG F:LYS29 4.4 22.6 1.0 CA E:GLU4 4.4 13.7 1.0 HG23 F:THR30 4.4 25.3 1.0 OXT F:THR30 4.5 25.9 1.0 CA E:ILE2 4.5 10.4 1.0 HG11 E:VAL3 4.7 12.5 1.0 H E:GLN5 4.7 13.2 1.0 HG23 E:VAL3 4.7 16.5 1.0 CG1 E:VAL3 4.7 14.4 1.0 HB2 F:PRO28 4.8 18.1 1.0 HA E:VAL3 4.8 14.1 1.0 O F:LYS29 4.8 26.7 1.0 HB3 F:LYS29 4.8 21.4 1.0 HG3 F:LYS29 4.8 24.8 1.0 C F:THR30 4.9 26.8 1.0 HA F:LYS29 4.9 20.1 1.0 O F:HOH1102 4.9 12.7 1.0 CB F:PRO28 5.0 17.6 1.0 HB F:THR30 5.0 25.2 1.0 HB3 F:PRO28 5.0 18.1 1.0 HG21 F:THR30 5.0 25.2 1.0

Chlorine binding site 6 out of 7 in the 1.3 A Structure of T3R3 Human Insulin at 100 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 1.3 A Structure of T3R3 Human Insulin at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl932 b:16.7 occ:0.17 O F:HOH933 1.3 14.2 0.5 ZN F:ZN931 2.1 10.8 0.3 O D:HOH1803 2.9 28.5 0.5 NE2 F:HIS10 3.4 10.9 1.0 HD2 F:HIS10 3.6 8.4 1.0 CD2 F:HIS10 3.9 9.8 1.0 CE1 F:HIS10 4.6 14.2 1.0 HE1 F:HIS10 4.9 15.1 1.0

Chlorine binding site 7 out of 7 in the 1.3 A Structure of T3R3 Human Insulin at 100 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 1.3 A Structure of T3R3 Human Insulin at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl942 b:19.8 occ:0.33 ZN H:ZN941 2.3 14.2 0.3 HB3 H:LEU6 2.7 21.6 1.0 HD13 H:LEU6 2.9 23.3 1.0 NE2 H:HIS10 3.3 13.1 1.0 HD12 H:LEU6 3.6 22.4 1.0 CB H:LEU6 3.6 21.7 1.0 HD2 H:HIS10 3.6 13.6 1.0 HB2 H:LEU6 3.6 19.1 1.0 CD1 H:LEU6 3.7 23.2 1.0 CD2 H:HIS10 3.9 12.7 1.0 CG H:LEU6 4.2 21.7 1.0 CE1 H:HIS10 4.5 16.8 1.0 HD22 H:LEU6 4.5 22.7 1.0 HD11 H:LEU6 4.6 23.0 1.0 CA H:LEU6 4.7 20.2 1.0 HE1 H:HIS10 4.7 17.3 1.0 C H:LEU6 4.8 20.6 1.0 O H:LEU6 4.8 18.8 1.0 HA H:LEU6 4.9 21.1 1.0 CD2 H:LEU6 4.9 25.5 1.0

G.D.Smith, W.A.Pangborn, R.H.Blessing. Phase Changes in T(3)R(3)(F) Human Insulin: Temperature or Pressure Induced? Acta Crystallogr.,Sect.D V. 57 1091 2001.
ISSN: ISSN 0907-4449
PubMed: 11468392
DOI: 10.1107/S0907444901007685