Bromine in PDB 2ykf: Sensor Region of A Sensor Histidine Kinase

All present enzymatic activity of Sensor Region of A Sensor Histidine Kinase:
2.7.13.3;

The structure of Sensor Region of A Sensor Histidine Kinase, PDB code: 2ykf was solved by J.Preu, S.Panjikar, P.Morth, R.Jaiswal, P.Karunakar, P.A.Tucker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.50 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	73.590, 81.270, 105.060, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 24

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Bromine atom in the Sensor Region of A Sensor Histidine Kinase (pdb code 2ykf). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 16 binding sites of Bromine where determined in the Sensor Region of A Sensor Histidine Kinase, PDB code: 2ykf:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 16 in the Sensor Region of A Sensor Histidine Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Sensor Region of A Sensor Histidine Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1288 b:30.9 occ:0.50 O A:HOH2020 3.1 28.6 1.0 O A:HOH2038 3.1 49.1 1.0 O A:HOH2021 3.5 32.2 1.0 CB A:ARG176 3.8 25.7 1.0 CG A:ARG176 3.8 27.7 1.0 CB A:ASN60 4.0 28.2 1.0 ND2 A:ASN60 4.3 31.2 1.0 NH1 A:ARG176 4.6 28.1 1.0 CG A:ASN60 4.6 30.0 1.0 OD2 A:ASP34 4.6 27.0 1.0 CD A:ARG176 4.8 30.4 1.0

Bromine binding site 2 out of 16 in the Sensor Region of A Sensor Histidine Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Sensor Region of A Sensor Histidine Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1289 b:33.3 occ:0.50 O A:HOH2071 3.3 32.0 1.0 N A:ASN196 3.4 25.2 1.0 CG A:ASN196 3.5 29.6 1.0 CB A:ASN196 3.6 24.5 1.0 ND2 A:ASN196 3.6 32.2 1.0 CD1 A:LEU142 3.6 35.2 1.0 CD A:PRO195 3.8 26.0 1.0 N A:PRO195 4.0 24.9 1.0 CB A:SER194 4.0 28.6 1.0 CB A:PRO195 4.0 24.1 1.0 OD1 A:ASN196 4.0 28.1 1.0 OG A:SER194 4.1 27.3 1.0 CA A:ASN196 4.1 24.6 1.0 O A:GLY178 4.1 27.3 1.0 C A:PRO195 4.4 23.8 1.0 CG A:PRO195 4.4 25.0 1.0 CA A:PRO195 4.4 24.6 1.0 C A:SER194 4.6 26.4 1.0 CA A:SER194 4.9 27.9 1.0 O2 A:SO41287 4.9 31.5 0.5

Bromine binding site 3 out of 16 in the Sensor Region of A Sensor Histidine Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Sensor Region of A Sensor Histidine Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1290 b:46.2 occ:0.46 N A:ASP69 3.3 35.8 1.0 O A:HOH2039 3.7 35.8 1.0 CB A:ASP69 3.9 34.7 1.0 CA A:THR68 4.0 38.8 1.0 C A:THR68 4.1 37.3 1.0 CA A:ASP69 4.2 35.5 1.0 CG2 A:THR68 4.3 44.0 1.0 CB A:THR68 4.5 40.4 1.0 OG1 A:THR68 4.5 45.5 1.0 O A:HIS67 4.9 39.0 1.0 O A:ASP69 4.9 33.3 1.0

Bromine binding site 4 out of 16 in the Sensor Region of A Sensor Histidine Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Sensor Region of A Sensor Histidine Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1291 b:45.1 occ:0.45 C A:MET80 3.4 50.7 1.0 N A:LEU82 3.4 50.0 1.0 CA A:MET80 3.5 51.6 1.0 O A:MET80 3.7 48.8 1.0 CB A:LEU82 3.7 49.6 1.0 CB A:MET80 3.7 51.4 1.0 N A:VAL83 3.7 46.6 1.0 N A:PRO81 3.8 50.7 1.0 CG2 A:VAL83 3.9 42.8 1.0 CA A:LEU82 4.0 49.6 1.0 CD A:PRO81 4.3 50.8 1.0 C A:PRO81 4.4 49.7 1.0 C A:LEU82 4.4 48.5 1.0 CE A:MET80 4.5 55.1 1.0 CB A:VAL83 4.5 45.2 1.0 CA A:PRO81 4.6 51.3 1.0 CA A:VAL83 4.8 45.1 1.0 CG A:MET80 4.8 53.7 1.0 N A:MET80 4.9 51.6 1.0 CG A:LEU82 5.0 49.9 1.0

Bromine binding site 5 out of 16 in the Sensor Region of A Sensor Histidine Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Sensor Region of A Sensor Histidine Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1292 b:42.1 occ:0.42 O A:HOH2103 3.0 85.4 1.0 N A:LEU210 3.1 45.5 1.0 N A:GLU211 3.3 40.5 1.0 CD1 A:LEU198 3.8 47.0 1.0 CB A:GLU211 3.9 42.1 1.0 CA A:LEU210 3.9 42.6 1.0 C A:GLU209 4.0 46.9 1.0 CB A:GLU209 4.0 50.2 1.0 CB A:LEU210 4.0 42.7 1.0 CA A:GLU209 4.1 49.9 1.0 CG A:LEU198 4.1 42.1 1.0 C A:LEU210 4.1 41.4 1.0 CG A:GLU211 4.1 45.0 1.0 CD2 A:LEU198 4.1 48.8 1.0 CA A:GLU211 4.2 41.0 1.0 CD A:GLU211 4.3 49.4 1.0 CG A:GLU209 4.5 56.4 1.0 OE2 A:GLU211 4.7 45.9 1.0 OE1 A:GLU211 4.7 49.4 1.0

Bromine binding site 6 out of 16 in the Sensor Region of A Sensor Histidine Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Sensor Region of A Sensor Histidine Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1293 b:35.6 occ:0.35 O A:HOH2014 3.1 44.2 1.0 O A:HOH2019 3.3 24.6 1.0 N A:LEU31 3.8 22.6 1.0 O A:HOH2087 3.9 49.4 1.0 CD A:ARG176 3.9 30.4 1.0 CB A:GLN30 4.0 25.8 1.0 CB A:LEU31 4.1 22.9 1.0 CA A:LEU31 4.1 23.7 1.0 O A:PRO175 4.3 27.2 1.0 CG A:GLN30 4.4 24.7 1.0 C A:GLN30 4.4 23.0 1.0 CA A:ARG176 4.5 26.6 1.0 NH1 A:ARG261 4.6 38.4 1.0 CA A:GLN30 4.7 23.5 1.0 NE A:ARG176 4.8 28.3 1.0 O A:HOH2081 5.0 49.3 1.0 CB A:ARG176 5.0 25.7 1.0

Bromine binding site 7 out of 16 in the Sensor Region of A Sensor Histidine Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Sensor Region of A Sensor Histidine Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1294 b:35.2 occ:0.32 CD1 A:LEU142 3.6 35.2 1.0 O1 A:SO41287 3.7 31.4 0.5 OE2 A:GLU143 3.7 42.8 1.0 NH1 A:ARG137 4.0 40.0 1.0 CB A:LEU142 4.1 28.8 1.0 O A:HOH2069 4.2 33.0 1.0 CG A:LEU142 4.3 28.1 1.0 CD A:GLU143 4.5 42.3 1.0 CD2 A:LEU142 4.6 27.4 1.0 OE1 A:GLU143 4.7 37.6 1.0

Bromine binding site 8 out of 16 in the Sensor Region of A Sensor Histidine Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Sensor Region of A Sensor Histidine Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1295 b:50.5 occ:0.27 N A:ARG172 3.4 48.0 1.0 CB A:ARG172 3.5 49.5 1.0 OG A:SER173 3.6 51.0 1.0 N A:SER173 3.6 47.5 1.0 OG A:SER171 3.7 48.7 1.0 CA A:ARG172 3.9 48.9 1.0 CB A:SER173 4.0 46.5 1.0 CB A:SER171 4.1 47.3 1.0 C A:ARG172 4.2 47.3 1.0 O A:HOH2083 4.3 46.5 1.0 CG A:ARG172 4.4 54.5 1.0 C A:SER171 4.4 47.3 1.0 CA A:SER173 4.4 46.8 1.0 CD A:ARG172 4.5 61.5 1.0 CA A:SER171 4.8 47.7 1.0

Bromine binding site 9 out of 16 in the Sensor Region of A Sensor Histidine Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Sensor Region of A Sensor Histidine Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1296 b:51.6 occ:0.26 BR A:BR1297 2.4 42.7 0.3 O A:HOH2108 3.5 46.9 1.0 CG A:PRO221 3.7 36.3 1.0 CD A:PRO221 3.8 32.4 1.0 CB A:ARG220 4.0 33.7 1.0 CD A:ARG220 4.0 32.8 1.0 CG A:ARG220 4.2 35.4 1.0 N A:PRO221 4.3 32.9 1.0 NE A:ARG220 4.7 36.7 1.0 CB A:PRO221 4.7 35.2 1.0 C A:ARG220 4.8 33.2 1.0 CA A:PRO221 4.8 34.4 1.0 O A:ASP217 4.9 35.9 1.0 CA A:ARG220 4.9 33.0 1.0

Bromine binding site 10 out of 16 in the Sensor Region of A Sensor Histidine Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Sensor Region of A Sensor Histidine Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1297 b:42.7 occ:0.26 BR A:BR1296 2.4 51.6 0.3 N A:PRO221 3.7 32.9 1.0 CA A:PRO221 3.7 34.4 1.0 CG A:ARG220 3.8 35.4 1.0 CG A:PRO221 3.9 36.3 1.0 C A:ARG220 3.9 33.2 1.0 CD A:ARG220 4.0 32.8 1.0 CD A:PRO221 4.0 32.4 1.0 CB A:ARG220 4.1 33.7 1.0 CB A:PRO221 4.1 35.2 1.0 NE A:ARG220 4.1 36.7 1.0 O A:ARG220 4.2 32.2 1.0 O A:HOH2110 4.3 36.7 1.0 CA A:ARG220 4.7 33.0 1.0

J.Preu, S.Panjikar, P.Morth, R.Jaiswal, P.Karunakar, P.A.Tucker. The Sensor Region of the Ubiquitous Cytosolic Sensor Kinase, Pdtas, Contains Pas and Gaf Domain Sensing Modules. J.Struct.Biol. V. 177 498 2012.
ISSN: ISSN 1047-8477
PubMed: 22115998
DOI: 10.1016/J.JSB.2011.11.012