Bromine in PDB 4zms: Structure of the Full-Length Response Regulator SPR1814 in Complex with A Phosphate Analogue and B3C

The structure of Structure of the Full-Length Response Regulator SPR1814 in Complex with A Phosphate Analogue and B3C, PDB code: 4zms was solved by Y.M.Chi, A.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.82 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.980, 115.526, 50.073, 90.00, 92.41, 90.00
R / Rfree (%)	16.5 / 21.5

The structure of Structure of the Full-Length Response Regulator SPR1814 in Complex with A Phosphate Analogue and B3C also contains other interesting chemical elements:

Fluorine	(F)	6 atoms
Magnesium	(Mg)	2 atoms

The binding sites of Bromine atom in the Structure of the Full-Length Response Regulator SPR1814 in Complex with A Phosphate Analogue and B3C (pdb code 4zms). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Structure of the Full-Length Response Regulator SPR1814 in Complex with A Phosphate Analogue and B3C, PDB code: 4zms:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Structure of the Full-Length Response Regulator SPR1814 in Complex with A Phosphate Analogue and B3C


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of the Full-Length Response Regulator SPR1814 in Complex with A Phosphate Analogue and B3C within 5.0Å range: probe atom residue distance (Å) B Occ A:Br203 b:91.5 occ:1.00 BRD A:4QT203 0.0 91.5 1.0 CAJ A:4QT203 1.9 58.9 1.0 H A:LYS84 2.3 17.1 1.0 HAD A:4QT203 2.9 21.9 1.0 CAM A:4QT203 2.9 59.0 1.0 CAI A:4QT203 3.0 45.6 1.0 HA A:PHE83 3.0 19.9 1.0 N A:LYS84 3.1 14.3 1.0 OAB A:4QT203 3.3 12.0 1.0 NAA A:4QT203 3.3 18.2 1.0 HD1 A:PHE83 3.3 27.7 1.0 HB2 A:LYS84 3.4 25.8 1.0 OAG A:4QT203 3.4 35.0 1.0 O A:HOH402 3.6 32.4 1.0 O A:HOH412 3.7 35.8 1.0 HG2 A:ARG85 3.7 26.7 1.0 HB3 A:PHE83 3.8 21.5 1.0 CA A:PHE83 3.8 16.6 1.0 HG3 A:LYS84 3.8 32.6 1.0 H A:ARG85 3.8 26.0 1.0 CA A:LYS84 3.9 20.1 1.0 CB A:LYS84 4.0 21.5 1.0 C A:PHE83 4.0 18.1 1.0 HE A:ARG85 4.1 45.6 1.0 N A:ARG85 4.2 21.7 1.0 CD1 A:PHE83 4.2 23.1 1.0 CAL A:4QT203 4.2 60.9 1.0 C A:LYS84 4.2 23.4 1.0 CAK A:4QT203 4.2 58.1 1.0 CB A:PHE83 4.3 17.9 1.0 HAA A:4QT203 4.3 14.4 1.0 HAC A:4QT203 4.3 21.9 1.0 CG A:LYS84 4.4 27.2 1.0 NE A:ARG85 4.5 38.0 1.0 O A:THR82 4.6 16.4 1.0 HD2 A:LYS84 4.6 41.2 1.0 HD3 A:ARG85 4.6 40.0 1.0 CG A:ARG85 4.6 22.2 1.0 CG A:PHE83 4.8 25.6 1.0 CAN A:4QT203 4.8 54.9 1.0 CD A:ARG85 4.8 33.3 1.0 HA A:LYS84 4.8 24.1 1.0 HB3 A:LYS84 4.9 25.8 1.0 N A:PHE83 5.0 15.9 1.0

Bromine binding site 2 out of 3 in the Structure of the Full-Length Response Regulator SPR1814 in Complex with A Phosphate Analogue and B3C


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of the Full-Length Response Regulator SPR1814 in Complex with A Phosphate Analogue and B3C within 5.0Å range: probe atom residue distance (Å) B Occ A:Br203 b:0.1 occ:1.00 BRE A:4QT203 0.0 0.1 1.0 CAK A:4QT203 1.9 58.1 1.0 HAC A:4QT203 2.2 21.9 1.0 CAI A:4QT203 2.8 45.6 1.0 NAA A:4QT203 2.8 18.2 1.0 CAN A:4QT203 2.9 54.9 1.0 OAH A:4QT203 3.1 49.5 1.0 HH12 A:ARG85 3.5 36.6 1.0 NH1 A:ARG85 3.5 30.5 1.0 HH11 A:ARG85 3.5 36.6 1.0 HAD A:4QT203 3.8 21.9 1.0 CZ A:ARG85 4.1 42.8 1.0 HD3 A:ARG85 4.1 40.0 1.0 CAJ A:4QT203 4.1 58.9 1.0 CAL A:4QT203 4.2 60.9 1.0 OAC A:4QT203 4.4 28.2 1.0 HE3 A:MET131 4.5 43.5 1.0 HH22 A:ARG85 4.6 37.4 1.0 NH2 A:ARG85 4.6 31.1 1.0 NE A:ARG85 4.6 38.0 1.0 CAM A:4QT203 4.7 59.0 1.0 HE1 A:MET131 4.7 43.5 1.0 HAB A:4QT203 4.8 33.9 1.0 CD A:ARG85 4.8 33.3 1.0

Bromine binding site 3 out of 3 in the Structure of the Full-Length Response Regulator SPR1814 in Complex with A Phosphate Analogue and B3C


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of the Full-Length Response Regulator SPR1814 in Complex with A Phosphate Analogue and B3C within 5.0Å range: probe atom residue distance (Å) B Occ A:Br203 b:0.1 occ:1.00 BRF A:4QT203 0.0 0.1 1.0 CAL A:4QT203 1.9 60.9 1.0 OAG A:4QT203 2.4 35.0 1.0 CAM A:4QT203 2.7 59.0 1.0 OAC A:4QT203 2.8 28.2 1.0 CAN A:4QT203 3.0 54.9 1.0 OAH A:4QT203 3.4 49.5 1.0 OAB A:4QT203 3.6 12.0 1.0 HAB A:4QT203 3.7 33.9 1.0 HAA A:4QT203 3.7 14.4 1.0 HH21 A:ARG85 4.1 37.4 1.0 CAJ A:4QT203 4.1 58.9 1.0 HH22 A:ARG85 4.2 37.4 1.0 CAK A:4QT203 4.3 58.1 1.0 NH2 A:ARG85 4.4 31.1 1.0 CAI A:4QT203 4.7 45.6 1.0

A.K.Park, J.H.Lee, Y.M.Chi, H.Park. Structural Characterization of the Full-Length Response Regulator SPR1814 in Complex with A Phosphate Analogue Reveals A Novel Conformational Plasticity of the Linker Region Biochem.Biophys.Res.Commun. V. 473 625 2016.
ISSN: ESSN 1090-2104
PubMed: 27038544
DOI: 10.1016/J.BBRC.2016.03.144