Chlorine in PDB 1g7a: 1.2 A Structure of T3R3 Human Insulin at 100 K

The structure of 1.2 A Structure of T3R3 Human Insulin at 100 K, PDB code: 1g7a 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)	31.20 / 1.20
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	80.127, 80.127, 71.582, 90.00, 90.00, 120.00
R / Rfree (%)	16.9 / 19.3

The structure of 1.2 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 1.2 A Structure of T3R3 Human Insulin at 100 K (pdb code 1g7a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the 1.2 A Structure of T3R3 Human Insulin at 100 K, PDB code: 1g7a:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the 1.2 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 1.2 A Structure of T3R3 Human Insulin at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl902 b:18.7 occ:0.33 ZN B:ZN901 2.2 10.8 0.3 NE2 B:HIS10 3.5 11.5 1.0 HD2 B:HIS10 3.6 13.7 1.0 CD2 B:HIS10 3.9 10.7 1.0 O B:HOH1312 4.4 40.5 1.0 CE1 B:HIS10 4.7 11.7 1.0 O B:HOH1271 4.8 38.7 1.0

Chlorine binding site 2 out of 7 in the 1.2 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 1.2 A Structure of T3R3 Human Insulin at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl912 b:10.9 occ:0.45 O D:HOH1814 1.4 9.2 0.6 ZN D:ZN911 2.2 9.2 0.5 HB3 D:LEU6 2.7 12.3 1.0 HD13 D:LEU6 2.8 15.9 1.0 NE2 D:HIS10 3.5 8.5 0.5 CD1 D:LEU6 3.6 14.1 1.0 O D:HOH1812 3.6 12.1 0.6 HD12 D:LEU6 3.6 14.3 1.0 HD2 D:HIS10 3.7 11.2 0.5 CB D:LEU6 3.7 10.8 1.0 HD22 D:LEU6 3.9 15.1 1.0 CD2 D:HIS10 3.9 9.8 0.5 CG D:LEU6 4.1 11.6 1.0 HB2 D:LEU6 4.1 12.0 1.0 O D:HOH1150 4.2 23.2 0.3 CD2 D:LEU6 4.4 13.7 1.0 HD11 D:LEU6 4.5 15.1 1.0 HD21 D:LEU6 4.6 14.2 1.0 CE1 D:HIS10 4.6 11.8 0.5 CA D:LEU6 4.8 9.6 1.0 O D:LEU6 4.8 10.2 1.0 HE1 D:HIS10 4.9 14.3 0.5 C D:LEU6 4.9 9.0 1.0 HA D:LEU6 5.0 9.0 1.0

Chlorine binding site 3 out of 7 in the 1.2 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 1.2 A Structure of T3R3 Human Insulin at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl922 b:10.6 occ:0.55 ZN D:ZN921 2.3 9.6 0.6 HD2 D:HIS10 3.0 12.8 0.6 HD22 D:LEU11 3.1 15.2 1.0 HD11 C:LEU16 3.1 14.6 1.0 O C:HOH1138 3.3 20.7 1.0 O C:HOH1114 3.3 14.9 1.0 NE2 D:HIS10 3.4 7.8 0.6 HD21 C:LEU16 3.5 15.2 1.0 CD2 D:HIS10 3.5 7.0 0.6 HB3 D:ALA14 3.7 10.7 1.0 CL D:CL923 3.8 12.8 0.6 HB2 D:ALA14 3.9 9.8 1.0 HB1 D:ALA14 4.0 7.9 1.0 CD2 D:LEU11 4.1 13.4 1.0 CB D:ALA14 4.1 9.3 1.0 CD1 C:LEU16 4.1 12.4 1.0 HA D:LEU11 4.2 6.4 1.0 HD13 C:LEU16 4.3 13.8 1.0 H C:CYS11 4.3 17.6 1.0 HD21 D:LEU11 4.4 13.6 1.0 HD23 D:LEU11 4.4 14.5 1.0 HG21 C:ILE10 4.4 20.9 1.0 O C:HOH1935 4.4 14.0 0.3 HG23 C:ILE10 4.5 19.6 1.0 CD2 C:LEU16 4.5 14.5 1.0 O C:CYS11 4.5 16.5 1.0 HB2 C:CYS11 4.5 17.2 1.0 CE1 D:HIS10 4.7 9.3 0.6 HD22 C:LEU16 4.7 16.7 1.0 CG C:LEU16 4.8 11.8 1.0 HD12 C:LEU16 4.9 14.4 1.0 CG D:HIS10 4.9 7.4 0.6 HB3 C:CYS6 4.9 13.5 1.0 HG C:LEU16 5.0 15.2 1.0 CG2 C:ILE10 5.0 23.3 1.0 HB3 D:HIS10 5.0 9.7 0.5

Chlorine binding site 4 out of 7 in the 1.2 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 1.2 A Structure of T3R3 Human Insulin at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl923 b:12.8 occ:0.55 ZN D:ZN921 2.2 9.6 0.6 NE2 D:HIS10 3.4 7.8 0.6 HE1 D:HIS10 3.5 10.8 0.6 O C:HOH1138 3.7 20.7 1.0 CL D:CL922 3.8 10.6 0.6 CE1 D:HIS10 3.8 9.3 0.6 HB3 D:ALA14 4.1 10.7 1.0 O D:HOH1179 4.4 27.6 1.0 HB2 D:ALA14 4.5 9.8 1.0 CD2 D:HIS10 4.7 7.0 0.6 CB D:ALA14 4.9 9.3 1.0

Chlorine binding site 5 out of 7 in the 1.2 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 1.2 A Structure of T3R3 Human Insulin at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl1101 b:16.2 occ:1.00 H F:LYS29 2.3 16.4 1.0 H E:GLU4 2.5 14.7 1.0 H E:VAL3 2.6 10.9 1.0 HB E:VAL3 2.7 14.0 1.0 HA3 E:GLY1 2.7 12.4 1.0 H1 E:GLY1 2.7 16.3 1.0 H F:THR30 2.9 23.6 1.0 OG1 F:THR30 3.0 26.4 1.0 HB2 F:LYS29 3.2 19.8 1.0 N F:LYS29 3.2 14.6 1.0 CA E:GLY1 3.2 13.6 1.0 C E:GLY1 3.3 12.4 1.0 N E:VAL3 3.3 10.4 1.0 N E:GLY1 3.4 15.8 1.0 N E:GLU4 3.4 11.6 1.0 N F:THR30 3.4 21.3 1.0 HG23 F:THR30 3.4 24.3 1.0 HG1 F:THR30 3.5 25.3 1.0 HA F:PRO28 3.5 15.2 1.0 CB E:VAL3 3.6 13.2 1.0 O E:GLY1 3.6 12.6 1.0 N E:ILE2 3.7 11.3 1.0 HB3 E:GLU4 3.7 16.1 1.0 H E:ILE2 3.8 13.3 1.0 HG2 F:LYS29 3.8 22.1 1.0 CA E:VAL3 3.8 11.3 1.0 HB2 E:GLU4 3.8 13.7 1.0 H3 E:GLY1 3.8 17.5 1.0 HG23 E:VAL3 3.8 12.5 1.0 CA F:LYS29 3.9 16.6 1.0 C F:LYS29 3.9 18.9 1.0 CB F:LYS29 3.9 19.1 1.0 CB F:THR30 3.9 23.8 1.0 CG2 F:THR30 4.0 27.2 1.0 C E:VAL3 4.1 11.9 1.0 CB E:GLU4 4.2 14.7 1.0 HG21 F:THR30 4.2 24.0 1.0 CA F:THR30 4.2 25.3 1.0 CG2 E:VAL3 4.2 14.1 1.0 C F:PRO28 4.2 14.5 1.0 C E:ILE2 4.2 9.4 1.0 H2 E:GLY1 4.3 14.3 1.0 HG21 E:ILE2 4.3 8.8 1.0 HA2 E:GLY1 4.3 14.3 1.0 CA F:PRO28 4.3 12.9 1.0 OXT F:THR30 4.4 24.8 1.0 HG21 E:VAL3 4.4 14.2 1.0 CG F:LYS29 4.4 21.5 1.0 CA E:GLU4 4.4 12.1 1.0 CA E:ILE2 4.5 9.0 1.0 H E:GLN5 4.7 13.5 0.4 H E:GLN5 4.7 13.5 0.6 HG11 E:VAL3 4.7 12.5 1.0 CG1 E:VAL3 4.7 13.2 1.0 O F:LYS29 4.8 25.5 1.0 C F:THR30 4.8 24.2 1.0 HA E:VAL3 4.8 12.6 1.0 HB2 F:PRO28 4.8 16.7 1.0 HB3 F:LYS29 4.9 19.6 1.0 HG3 F:LYS29 4.9 23.3 1.0 HB F:THR30 4.9 25.2 1.0 HA F:LYS29 4.9 17.7 1.0 O F:HOH1102 4.9 10.3 1.0 CB F:PRO28 5.0 15.8 1.0 HG13 E:VAL3 5.0 12.4 1.0

Chlorine binding site 6 out of 7 in the 1.2 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 1.2 A Structure of T3R3 Human Insulin at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl932 b:15.3 occ:0.50 O F:HOH933 1.4 14.4 0.5 ZN F:ZN931 2.1 9.3 0.3 O F:HOH1803 2.9 25.6 0.5 H22 F:ACN992 3.2 21.2 1.0 HE2 D:PHE1 3.4 21.5 0.5 NE2 F:HIS10 3.5 9.1 1.0 HD2 F:HIS10 3.7 11.1 1.0 CD2 F:HIS10 4.0 7.5 1.0 C2 F:ACN992 4.2 24.3 1.0 H21 F:ACN992 4.2 22.6 1.0 CE2 D:PHE1 4.2 21.3 0.5 HD2 D:PHE1 4.5 22.0 0.5 O F:HOH1804 4.5 18.8 0.5 CE1 F:HIS10 4.6 12.6 1.0 CD2 D:PHE1 4.7 20.2 0.5 H13 F:ACN992 4.7 22.5 1.0 C F:ACN992 4.9 23.7 1.0 H23 F:ACN992 5.0 20.7 1.0

Chlorine binding site 7 out of 7 in the 1.2 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 1.2 A Structure of T3R3 Human Insulin at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl942 b:14.6 occ:0.33 ZN H:ZN941 2.3 11.4 0.3 HB3 H:LEU6 2.7 17.6 1.0 HD11 H:LEU6 3.2 17.9 1.0 HD12 H:LEU6 3.3 19.6 1.0 NE2 H:HIS10 3.4 10.9 1.0 CB H:LEU6 3.6 17.0 1.0 HD2 H:HIS10 3.6 14.7 1.0 HB2 H:LEU6 3.6 14.6 1.0 CD1 H:LEU6 3.7 20.3 1.0 CD2 H:HIS10 3.9 10.9 1.0 CG H:LEU6 4.2 17.3 1.0 HD23 H:LEU6 4.4 17.9 1.0 CE1 H:HIS10 4.5 13.8 1.0 HD13 H:LEU6 4.7 18.9 1.0 CA H:LEU6 4.7 12.8 1.0 O H:LEU6 4.8 12.9 1.0 C H:LEU6 4.8 12.5 1.0 HE1 H:HIS10 4.9 14.1 1.0 HA H:LEU6 4.9 15.9 1.0 CD2 H:LEU6 4.9 19.4 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