Chlorine in PDB 1qiy: Human Insulin Hexamers with Chain B His Mutated to Tyr Complexed with Phenol

The structure of Human Insulin Hexamers with Chain B His Mutated to Tyr Complexed with Phenol, PDB code: 1qiy was solved by L.Tang, J.L.Whittingham, C.S.Verma, L.S.D.Caves, G.G.Dodson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.80 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.100, 62.080, 48.350, 90.00, 109.87, 90.00
R / Rfree (%)	18.6 / n/a

The structure of Human Insulin Hexamers with Chain B His Mutated to Tyr Complexed with Phenol also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Human Insulin Hexamers with Chain B His Mutated to Tyr Complexed with Phenol (pdb code 1qiy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Insulin Hexamers with Chain B His Mutated to Tyr Complexed with Phenol, PDB code: 1qiy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Insulin Hexamers with Chain B His Mutated to Tyr Complexed with Phenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Insulin Hexamers with Chain B His Mutated to Tyr Complexed with Phenol within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl1002 b:17.3 occ:1.00 ZN J:ZN1001 2.2 19.0 1.0 O J:HOH2002 3.4 55.1 1.0 NE2 B:HIS10 3.5 12.5 1.0 NE2 J:HIS10 3.5 23.2 1.0 NE2 F:HIS10 3.6 20.1 1.0 CD2 B:HIS10 4.0 10.3 1.0 CD2 J:HIS10 4.0 15.8 1.0 CB B:LEU6 4.0 15.9 1.0 CD2 F:HIS10 4.1 11.3 1.0 CB J:LEU6 4.1 11.2 1.0 CB F:LEU6 4.1 16.8 1.0 CD1 J:LEU6 4.2 25.0 1.0 CD1 B:LEU6 4.3 19.4 1.0 CD1 F:LEU6 4.4 18.8 1.0 CE1 B:HIS10 4.6 16.9 1.0 CE1 F:HIS10 4.7 14.3 1.0 CE1 J:HIS10 4.7 11.9 1.0 CG J:LEU6 4.7 26.8 1.0 O F:LEU6 4.8 18.0 1.0 CG B:LEU6 4.8 22.0 1.0 O B:LEU6 4.8 18.9 1.0 CG F:LEU6 4.9 22.1 1.0 C F:LEU6 5.0 22.1 1.0 O J:LEU6 5.0 15.9 1.0 C B:LEU6 5.0 21.3 1.0

Chlorine binding site 2 out of 2 in the Human Insulin Hexamers with Chain B His Mutated to Tyr Complexed with Phenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Insulin Hexamers with Chain B His Mutated to Tyr Complexed with Phenol within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl1002 b:19.1 occ:1.00 ZN L:ZN1001 2.2 20.4 1.0 NE2 L:HIS10 3.5 22.8 1.0 NE2 D:HIS10 3.5 20.3 1.0 NE2 H:HIS10 3.6 23.4 1.0 CB L:LEU6 3.9 17.6 1.0 CD2 H:HIS10 4.0 19.4 1.0 CD2 D:HIS10 4.0 14.2 1.0 CD2 L:HIS10 4.0 22.8 1.0 CD1 L:LEU6 4.1 17.7 1.0 CB H:LEU6 4.1 13.8 1.0 CB D:LEU6 4.3 27.0 1.0 CD1 H:LEU6 4.4 17.5 1.0 CG D:LEU6 4.5 27.9 1.0 CE1 L:HIS10 4.5 15.0 1.0 CG L:LEU6 4.5 18.0 1.0 CD2 D:LEU6 4.6 17.6 1.0 CE1 D:HIS10 4.7 14.5 1.0 CE1 H:HIS10 4.7 19.0 1.0 CG H:LEU6 4.8 32.3 1.0 O L:LEU6 4.8 19.9 1.0 O H:LEU6 4.9 21.8 1.0 O D:LEU6 4.9 22.3 1.0 C L:LEU6 4.9 22.1 1.0 C H:LEU6 5.0 19.8 1.0

L.Tang, J.L.Whittingham, C.S.Verma, L.S.D.Caves, G.G.Dodson. Structural Consequences of the B5 Histidine --> Tyrosine Mutation in Human Insulin Characterized By X-Ray Crystallography and Conformational Analysis. Biochemistry V. 38 12041 1999.
ISSN: ISSN 0006-2960
PubMed: 10508408
DOI: 10.1021/BI990700K