Bromine in PDB 6z2s: Crystal Structure of Adhibin Analogue-Bound Myosin-2

The structure of Crystal Structure of Adhibin Analogue-Bound Myosin-2, PDB code: 6z2s was solved by W.Ewert, H.-J.Knoelker, G.Tsiavaliaris, M.Preller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.47 / 3.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	90.931, 144.22, 156.937, 90, 90, 90
R / Rfree (%)	21.8 / 26.2

The structure of Crystal Structure of Adhibin Analogue-Bound Myosin-2 also contains other interesting chemical elements:

Vanadium	(V)	1 atom
Magnesium	(Mg)	1 atom

The binding sites of Bromine atom in the Crystal Structure of Adhibin Analogue-Bound Myosin-2 (pdb code 6z2s). 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 Adhibin Analogue-Bound Myosin-2, PDB code: 6z2s:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Adhibin Analogue-Bound Myosin-2


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 Adhibin Analogue-Bound Myosin-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br802 b:256.6 occ:0.87 BR2 A:Q5Q802 0.0 256.6 0.9 C11 A:Q5Q802 1.9 96.1 0.9 HB3 A:SER266 2.8 109.8 1.0 C10 A:Q5Q802 2.9 47.9 0.9 C13 A:Q5Q802 2.9 92.4 0.9 H101 A:Q5Q802 3.0 57.4 0.9 HG3 A:GLU264 3.3 79.4 1.0 BR1 A:Q5Q802 3.4 158.3 0.9 CB A:SER266 3.6 91.5 1.0 OG A:SER266 3.7 110.4 1.0 H A:ARG267 4.0 100.5 1.0 CG A:GLU264 4.0 66.2 1.0 HG2 A:GLU264 4.1 79.4 1.0 N A:ARG267 4.2 83.8 1.0 OE2 A:GLU264 4.2 79.3 1.0 C08 A:Q5Q802 4.2 67.1 0.9 C14 A:Q5Q802 4.2 88.1 0.9 C A:SER266 4.2 74.7 1.0 HB2 A:SER266 4.3 109.8 1.0 CD A:GLU264 4.3 69.2 1.0 CA A:SER266 4.4 71.5 1.0 HG A:SER266 4.5 132.5 1.0 HB2 A:GLU467 4.5 88.6 1.0 HB3 A:GLU467 4.6 88.6 1.0 HA A:ARG267 4.7 86.4 1.0 N A:SER266 4.7 64.7 1.0 C07 A:Q5Q802 4.7 90.2 0.9 HB2 A:ARG267 4.7 74.5 1.0 O A:SER266 4.8 73.6 1.0 HD2 A:PHE270 4.8 77.7 1.0 HG2 A:GLU467 4.9 70.7 1.0 CA A:ARG267 4.9 72.0 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Adhibin Analogue-Bound Myosin-2


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 Adhibin Analogue-Bound Myosin-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br802 b:158.3 occ:0.87 BR1 A:Q5Q802 0.0 158.3 0.9 C13 A:Q5Q802 1.9 92.4 0.9 HG3 A:GLU264 2.6 79.4 1.0 HA A:GLU264 2.6 70.2 1.0 H161 A:Q5Q802 2.6 102.7 0.9 HB3 A:SER266 2.7 109.8 1.0 C14 A:Q5Q802 2.8 88.1 0.9 H A:LYS265 2.9 93.6 1.0 C11 A:Q5Q802 2.9 96.1 0.9 N A:SER266 3.0 64.7 1.0 N A:LYS265 3.1 78.0 1.0 C A:GLU264 3.2 78.1 1.0 CA A:GLU264 3.3 58.5 1.0 C16 A:Q5Q802 3.3 85.6 0.9 C15 A:Q5Q802 3.3 94.7 0.9 CG A:GLU264 3.4 66.2 1.0 BR2 A:Q5Q802 3.4 256.6 0.9 CB A:SER266 3.5 91.5 1.0 HG2 A:GLU264 3.6 79.4 1.0 HB2 A:SER266 3.7 109.8 1.0 H A:ARG267 3.7 100.5 1.0 CA A:SER266 3.8 71.5 1.0 CB A:GLU264 3.8 59.6 1.0 HB2 A:GLU467 3.8 88.6 1.0 C A:LYS265 3.9 67.8 1.0 O A:GLU264 3.9 80.5 1.0 CA A:LYS265 4.1 73.0 1.0 HG2 A:LYS265 4.1 93.8 1.0 HG2 A:GLU467 4.1 70.7 1.0 HB2 A:GLU264 4.1 71.5 1.0 C07 A:Q5Q802 4.1 90.2 0.9 HG3 A:LYS265 4.2 93.8 1.0 C10 A:Q5Q802 4.2 47.9 0.9 OE1 A:GLU467 4.3 86.9 1.0 N A:ARG267 4.3 83.8 1.0 O A:LEU263 4.4 70.9 1.0 C A:SER266 4.5 74.7 1.0 N A:GLU264 4.5 61.6 1.0 CG A:LYS265 4.5 78.2 1.0 HA A:SER266 4.6 85.8 1.0 CB A:GLU467 4.6 73.8 1.0 CD A:GLU264 4.6 69.2 1.0 C02 A:Q5Q802 4.6 80.6 0.9 CD A:GLU467 4.6 67.9 1.0 CG A:GLU467 4.6 58.9 1.0 HB3 A:GLU264 4.6 71.5 1.0 OG A:SER266 4.7 110.4 1.0 C05 A:Q5Q802 4.7 94.3 0.9 C08 A:Q5Q802 4.7 67.1 0.9 HA A:LYS265 4.8 87.6 1.0 HB3 A:GLU467 4.9 88.6 1.0 CB A:LYS265 4.9 66.6 1.0 H012 A:Q5Q802 4.9 91.6 0.9 C A:LEU263 4.9 67.5 1.0 H101 A:Q5Q802 4.9 57.4 0.9

A.Bader, W.Ewert, H.-J.Knoelker, M.Preller, G.Tsiavaliaris. The Synthetic Carbazole Adhibin Acts As Selective Myosin Class-IX Inhibitor in Lung Cancer Cells To Be Published.