Bromine in PDB 6phq: Crystal Structure of Glucagon Analog Fully Composed of D-Amino Acids with 4-Bromo-D-Phenylalanine Substitutions at Position 6 and 22 in Space Group I41 at 1.1 A Resolution

The structure of Crystal Structure of Glucagon Analog Fully Composed of D-Amino Acids with 4-Bromo-D-Phenylalanine Substitutions at Position 6 and 22 in Space Group I41 at 1.1 A Resolution, PDB code: 6phq was solved by P.A.Mroz, G.Gonzalez-Gutierrez, R.D.Dimarchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.88 / 1.32
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	41.770, 41.770, 30.439, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 24.7

The binding sites of Bromine atom in the Crystal Structure of Glucagon Analog Fully Composed of D-Amino Acids with 4-Bromo-D-Phenylalanine Substitutions at Position 6 and 22 in Space Group I41 at 1.1 A Resolution (pdb code 6phq). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Glucagon Analog Fully Composed of D-Amino Acids with 4-Bromo-D-Phenylalanine Substitutions at Position 6 and 22 in Space Group I41 at 1.1 A Resolution, PDB code: 6phq:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Glucagon Analog Fully Composed of D-Amino Acids with 4-Bromo-D-Phenylalanine Substitutions at Position 6 and 22 in Space Group I41 at 1.1 A Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Glucagon Analog Fully Composed of D-Amino Acids with 4-Bromo-D-Phenylalanine Substitutions at Position 6 and 22 in Space Group I41 at 1.1 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Br6 b:22.6 occ:1.00 BR A:BF76 0.0 22.6 1.0 CZ A:BF76 1.9 20.3 1.0 CE1 A:BF76 2.9 20.5 1.0 CE2 A:BF76 2.9 20.0 1.0 HE1 A:BF76 2.9 24.7 1.0 HE2 A:BF76 3.0 24.0 1.0 CD1 A:BF76 4.2 20.9 1.0 CD2 A:BF76 4.2 20.4 1.0 CG A:BF76 4.7 19.9 1.0 HD1 A:BF76 4.9 25.1 1.0 HD2 A:BF76 4.9 24.6 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Glucagon Analog Fully Composed of D-Amino Acids with 4-Bromo-D-Phenylalanine Substitutions at Position 6 and 22 in Space Group I41 at 1.1 A Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Glucagon Analog Fully Composed of D-Amino Acids with 4-Bromo-D-Phenylalanine Substitutions at Position 6 and 22 in Space Group I41 at 1.1 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Br22 b:17.6 occ:1.00 BR A:BF722 0.0 17.6 1.0 CZ A:BF722 1.9 15.2 1.0 CE2 A:BF722 2.9 15.4 1.0 HE2 A:BF722 2.9 18.5 1.0 CE1 A:BF722 2.9 15.2 1.0 HE1 A:BF722 3.0 18.3 1.0 HD21 A:DLE26 3.4 29.4 1.0 HD11 A:DLE26 3.6 27.4 1.0 HD12 A:DLE26 4.2 27.4 1.0 CD2 A:BF722 4.2 15.6 1.0 CD1 A:BF722 4.2 14.7 1.0 CD2 A:DLE26 4.2 24.4 1.0 CD1 A:DLE26 4.3 22.8 1.0 HD23 A:DLE26 4.3 29.4 1.0 CG A:BF722 4.7 14.6 1.0 HZ3 A:DTR25 4.8 26.9 1.0 HD2 A:BF722 4.9 18.8 1.0 CG A:DLE26 4.9 25.9 1.0 HD1 A:BF722 4.9 17.7 1.0 HD22 A:DLE26 4.9 29.4 1.0

P.A.Mroz, G.Gonzalez-Gutierrez, R.D.Dimarchi. High Resolution X-Ray Structure of Glucagon and Selected Stereo-Inversed Analogs in Novel Crystallographic Packing Arrangement. To Be Published.