Chlorine in PDB 4p65: Crystal Structure of An Cyclohexylalanine Substituted Insulin Analog.

The structure of Crystal Structure of An Cyclohexylalanine Substituted Insulin Analog., PDB code: 4p65 was solved by V.Pandyarajan, Z.Wan, M.A.Weiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.30 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.040, 60.900, 59.300, 90.00, 112.25, 90.00
R / Rfree (%)	16 / 20.3

The structure of Crystal Structure of An Cyclohexylalanine Substituted Insulin Analog. also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of An Cyclohexylalanine Substituted Insulin Analog. (pdb code 4p65). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of An Cyclohexylalanine Substituted Insulin Analog., PDB code: 4p65:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of An Cyclohexylalanine Substituted Insulin Analog.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of An Cyclohexylalanine Substituted Insulin Analog. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:23.0 occ:1.00 ZN B:ZN101 2.2 21.0 1.0 HB3 B:LEU6 3.0 26.7 1.0 HB3 F:LEU6 3.0 30.5 1.0 HB3 J:LEU6 3.0 26.5 1.0 HD13 J:LEU6 3.2 29.9 1.0 HD13 F:LEU6 3.3 34.5 1.0 HD13 B:LEU6 3.3 30.8 1.0 NE2 B:HIS10 3.5 19.0 1.0 NE2 F:HIS10 3.5 18.6 1.0 NE2 J:HIS10 3.6 21.1 1.0 HD2 J:HIS10 3.7 24.1 1.0 HD2 F:HIS10 3.7 26.1 1.0 HD2 B:HIS10 3.8 23.2 1.0 CB J:LEU6 3.9 22.1 1.0 CB B:LEU6 3.9 22.2 1.0 CB F:LEU6 3.9 25.4 1.0 CD2 F:HIS10 3.9 21.7 1.0 HB2 J:LEU6 3.9 26.5 1.0 CD2 J:HIS10 3.9 20.1 1.0 HB2 B:LEU6 4.0 26.7 1.0 CD2 B:HIS10 4.0 19.3 1.0 HB2 F:LEU6 4.0 30.5 1.0 CD1 J:LEU6 4.0 24.9 1.0 HD12 J:LEU6 4.1 29.9 1.0 CD1 B:LEU6 4.1 25.7 1.0 CD1 F:LEU6 4.1 28.7 1.0 HD12 B:LEU6 4.1 30.8 1.0 HD12 F:LEU6 4.2 34.5 1.0 HD22 F:LEU6 4.4 33.5 1.0 CG J:LEU6 4.5 22.5 1.0 CG F:LEU6 4.5 27.8 1.0 HD22 J:LEU6 4.6 29.1 1.0 CE1 B:HIS10 4.6 22.5 1.0 CG B:LEU6 4.6 23.9 1.0 CE1 F:HIS10 4.6 22.4 1.0 HD22 B:LEU6 4.7 31.7 1.0 CE1 J:HIS10 4.7 22.4 1.0 O B:LEU6 4.8 22.3 1.0 HD11 J:LEU6 4.8 29.9 1.0 O F:LEU6 4.8 25.8 1.0 C B:LEU6 4.9 21.4 1.0 HE1 B:HIS10 4.9 27.0 1.0 C F:LEU6 4.9 23.7 1.0 HD11 B:LEU6 4.9 30.8 1.0 HD11 F:LEU6 4.9 34.5 1.0 CA B:LEU6 4.9 21.4 1.0 CA F:LEU6 4.9 25.0 1.0 CA J:LEU6 4.9 20.7 1.0 HE1 F:HIS10 4.9 26.8 1.0 O J:LEU6 5.0 20.5 1.0 C J:LEU6 5.0 19.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of An Cyclohexylalanine Substituted Insulin Analog.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of An Cyclohexylalanine Substituted Insulin Analog. within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl102 b:30.6 occ:1.00 ZN D:ZN101 2.2 27.4 1.0 HB3 L:LEU6 3.0 38.0 1.0 HB3 D:LEU6 3.0 35.7 1.0 HB3 H:LEU6 3.1 37.6 1.0 HD13 L:LEU6 3.2 42.8 1.0 HD13 H:LEU6 3.2 40.5 1.0 HD13 D:LEU6 3.4 35.2 1.0 NE2 D:HIS10 3.5 24.7 1.0 NE2 H:HIS10 3.5 28.6 1.0 NE2 L:HIS10 3.5 26.2 1.0 HD2 D:HIS10 3.6 29.7 1.0 HD2 H:HIS10 3.6 33.8 1.0 HD2 L:HIS10 3.6 29.3 1.0 HD12 H:LEU6 3.8 40.5 1.0 HB2 H:LEU6 3.8 37.6 1.0 HB2 D:LEU6 3.8 35.7 1.0 CB D:LEU6 3.8 29.8 1.0 CB H:LEU6 3.8 31.3 1.0 CB L:LEU6 3.9 31.7 1.0 CD2 D:HIS10 3.9 24.8 1.0 CD1 H:LEU6 3.9 33.8 1.0 CD2 H:HIS10 3.9 28.2 1.0 CD2 L:HIS10 3.9 24.4 1.0 CD1 L:LEU6 4.0 35.7 1.0 HB2 L:LEU6 4.1 38.0 1.0 CD1 D:LEU6 4.2 29.4 1.0 HD12 L:LEU6 4.2 42.8 1.0 HD12 D:LEU6 4.2 35.2 1.0 HD22 L:LEU6 4.4 41.0 1.0 CG H:LEU6 4.5 32.2 1.0 CG L:LEU6 4.5 33.5 1.0 CG D:LEU6 4.6 30.1 1.0 HD22 D:LEU6 4.6 37.0 1.0 CE1 D:HIS10 4.6 25.6 1.0 CE1 H:HIS10 4.6 29.3 1.0 CE1 L:HIS10 4.7 27.6 1.0 HD11 H:LEU6 4.7 40.5 1.0 HD11 L:LEU6 4.8 42.8 1.0 O L:LEU6 4.8 28.5 1.0 CA L:LEU6 4.9 28.3 1.0 HD22 H:LEU6 4.9 40.4 1.0 O D:LEU6 4.9 29.2 1.0 C D:LEU6 4.9 29.0 1.0 C L:LEU6 4.9 28.2 1.0 C H:LEU6 4.9 31.3 1.0 CA D:LEU6 4.9 29.8 1.0 CA H:LEU6 4.9 31.1 1.0 O H:LEU6 5.0 33.9 1.0 HA L:LEU6 5.0 34.0 1.0 HE1 D:HIS10 5.0 30.8 1.0 CD2 L:LEU6 5.0 34.2 1.0 HD11 D:LEU6 5.0 35.2 1.0

V.Pandyarajan, B.J.Smith, N.B.Phillips, L.Whittaker, G.P.Cox, N.Wickramasinghe, J.G.Menting, Z.L.Wan, J.Whittaker, F.Ismail-Beigi, M.C.Lawrence, M.A.Weiss. Aromatic Anchor at An Invariant Hormone-Receptor Interface. Function of Insulin Residue B24 with Application to Protein Design. J.Biol.Chem. 2014.
ISSN: ESSN 1083-351X
PubMed: 25305014
DOI: 10.1074/JBC.M114.608562