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Bromine in PDB 1gqb: Human Mir-Receptor, Repeat 11

Protein crystallography data

The structure of Human Mir-Receptor, Repeat 11, PDB code: 1gqb was solved by R.Von Buelow, M.Dauter, Z.Dauter, K.R.Rajashankar, S.Grimme, B.Schmidt, K.Von Figura, I.Uson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 102.426, 49.060, 74.380, 90.00, 129.01, 90.00
R / Rfree (%) 20.8 / 25.3

Bromine Binding Sites:

The binding sites of Bromine atom in the Human Mir-Receptor, Repeat 11 (pdb code 1gqb). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 10 binding sites of Bromine where determined in the Human Mir-Receptor, Repeat 11, PDB code: 1gqb:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 10 in 1gqb

Go back to Bromine Binding Sites List in 1gqb
Bromine binding site 1 out of 10 in the Human Mir-Receptor, Repeat 11


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Human Mir-Receptor, Repeat 11 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1141

b:31.7
occ:1.00
 CA A:ASN71 3.7 11.4 1.0
CA A:GLY47 3.8 21.7 1.0
N A:ASN71 3.9 16.5 1.0
O A:ALA70 4.0 16.0 1.0
C A:ALA70 4.0 13.9 1.0
O A:CYS46 4.0 16.4 1.0
CG A:LYS72 4.1 20.6 1.0
C A:ASN71 4.1 11.8 1.0
CB A:ALA70 4.2 14.7 1.0
N A:GLY47 4.2 16.3 1.0
C A:CYS46 4.3 15.4 1.0
CE A:LYS72 4.4 33.2 1.0
N A:LYS72 4.5 13.6 1.0
O A:ASN71 4.5 14.5 1.0
O A:HOH2046 4.6 15.3 1.0
C A:GLY47 4.7 27.2 1.0
CA A:ALA70 4.8 11.2 1.0
CD A:LYS72 4.8 22.5 1.0
N A:GLU48 4.9 20.9 1.0
O A:HOH2047 4.9 12.7 1.0
NZ A:LYS72 5.0 41.5 1.0
CB A:ASN71 5.0 9.6 1.0

Bromine binding site 2 out of 10 in 1gqb

Go back to Bromine Binding Sites List in 1gqb
Bromine binding site 2 out of 10 in the Human Mir-Receptor, Repeat 11


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Human Mir-Receptor, Repeat 11 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1142

b:18.7
occ:0.50
 OG A:SER132 3.0 14.3 1.0
NE2 A:HIS134 3.4 28.5 1.0
CB A:SER132 3.7 13.0 1.0
CG2 A:ILE120 4.0 17.3 1.0
CE1 A:HIS134 4.3 24.5 1.0
CD2 A:HIS134 4.3 20.3 1.0
CD1 A:ILE120 4.8 16.5 1.0

Bromine binding site 3 out of 10 in 1gqb

Go back to Bromine Binding Sites List in 1gqb
Bromine binding site 3 out of 10 in the Human Mir-Receptor, Repeat 11


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Human Mir-Receptor, Repeat 11 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1143

b:19.1
occ:0.50
 N A:GLN62 3.3 12.0 1.0
O A:LEU40 3.3 15.5 1.0
CB A:GLN62 3.4 24.3 1.0
N A:GLY61 3.6 11.9 1.0
CD2 A:TYR35 3.7 17.4 1.0
N A:LEU40 3.8 19.4 1.0
CA A:GLN62 4.0 16.2 1.0
CB A:PHE60 4.0 12.7 1.0
CA A:GLY39 4.0 27.6 1.0
CA A:GLY61 4.1 12.3 1.0
CE2 A:TYR35 4.1 21.2 1.0
C A:GLY61 4.1 13.9 1.0
C A:PHE60 4.2 10.0 1.0
CA A:PHE60 4.3 8.5 1.0
CD1 A:PHE60 4.4 17.1 1.0
C A:LEU40 4.4 17.4 1.0
C A:GLY39 4.4 22.9 1.0
CG A:GLN62 4.5 42.8 1.0
O A:HOH2039 4.6 10.8 1.0
CG A:PHE60 4.6 12.8 1.0
CA A:LEU40 4.7 19.6 1.0
CG A:TYR35 4.8 13.2 1.0

Bromine binding site 4 out of 10 in 1gqb

Go back to Bromine Binding Sites List in 1gqb
Bromine binding site 4 out of 10 in the Human Mir-Receptor, Repeat 11


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Human Mir-Receptor, Repeat 11 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1144

b:28.7
occ:0.30
 N A:ASP87 3.1 12.3 1.0
CE A:LYS100 3.2 34.9 1.0
O A:HOH2058 3.5 26.1 1.0
CA A:ASP87 3.7 14.8 1.0
OD1 A:ASP87 3.7 31.1 1.0
CB A:LYS86 3.8 21.2 1.0
CB A:SER98 3.9 25.3 1.0
CD A:LYS100 4.0 37.9 1.0
C A:LYS86 4.1 14.9 1.0
CA A:LYS86 4.2 12.6 1.0
NZ A:LYS100 4.3 24.8 1.0
CG A:ASP87 4.5 32.4 1.0
O A:TYR99 4.6 13.6 1.0
CB A:LYS100 4.6 18.7 1.0
O A:SER98 4.7 19.5 1.0
OG A:SER98 4.7 31.4 1.0
N A:GLY88 4.7 13.0 1.0
CB A:ASP87 4.7 18.3 1.0
C A:ASP87 4.8 18.5 1.0
CG A:LYS86 4.8 35.4 1.0
CG A:LYS100 4.9 30.5 1.0
C A:SER98 4.9 27.2 1.0
CA A:SER98 5.0 23.3 1.0

Bromine binding site 5 out of 10 in 1gqb

Go back to Bromine Binding Sites List in 1gqb
Bromine binding site 5 out of 10 in the Human Mir-Receptor, Repeat 11


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Human Mir-Receptor, Repeat 11 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1141

b:31.6
occ:1.00
 O B:HOH2028 3.4 27.3 1.0
NZ B:LYS72 3.5 41.5 1.0
CE B:LYS72 3.8 34.1 1.0
CA B:ASN71 3.9 11.9 1.0
CG B:LYS72 4.0 17.8 1.0
O B:ALA70 4.0 13.8 1.0
CA B:GLY47 4.0 20.5 1.0
C B:ALA70 4.1 13.2 1.0
N B:ASN71 4.1 16.4 1.0
O B:CYS46 4.2 16.6 1.0
CB B:ALA70 4.2 16.1 1.0
C B:ASN71 4.3 13.2 1.0
N B:GLY47 4.5 15.8 1.0
CD B:LYS72 4.6 24.8 1.0
C B:CYS46 4.6 14.1 1.0
N B:LYS72 4.7 15.0 1.0
O B:ASN71 4.7 12.7 1.0
CA B:ALA70 4.8 12.4 1.0
C B:GLY47 4.8 25.5 1.0
N B:GLU48 4.9 22.2 1.0
O B:HOH2047 4.9 25.1 1.0

Bromine binding site 6 out of 10 in 1gqb

Go back to Bromine Binding Sites List in 1gqb
Bromine binding site 6 out of 10 in the Human Mir-Receptor, Repeat 11


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Human Mir-Receptor, Repeat 11 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1142

b:34.4
occ:1.00
 N B:GLN62 3.4 13.5 1.0
N B:GLY61 3.6 10.4 1.0
O B:LEU40 3.6 18.4 1.0
CB B:GLN62 3.7 23.8 1.0
CD2 B:TYR35 3.7 19.2 1.0
O B:HOH2002 3.7 18.6 1.0
N B:LEU40 3.9 18.2 1.0
CE2 B:TYR35 4.0 21.0 1.0
CB B:PHE60 4.0 13.3 1.0
CA B:GLY39 4.0 26.2 1.0
CA B:GLN62 4.1 16.0 1.0
CA B:GLY61 4.2 11.8 1.0
C B:PHE60 4.2 10.4 1.0
C B:GLY61 4.2 14.1 1.0
CD1 B:PHE60 4.3 15.0 1.0
CA B:PHE60 4.4 5.6 1.0
C B:GLY39 4.6 20.0 1.0
C B:LEU40 4.6 17.5 1.0
O B:HOH2040 4.6 15.6 1.0
CG B:PHE60 4.6 12.8 1.0
CG B:GLN62 4.6 41.8 1.0
CD B:GLN62 4.8 47.8 1.0
CG B:TYR35 4.9 14.5 1.0
CA B:LEU40 4.9 20.1 1.0
NE2 B:GLN62 5.0 68.1 1.0

Bromine binding site 7 out of 10 in 1gqb

Go back to Bromine Binding Sites List in 1gqb
Bromine binding site 7 out of 10 in the Human Mir-Receptor, Repeat 11


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Human Mir-Receptor, Repeat 11 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1143

b:18.0
occ:0.50
 OG B:SER132 3.1 15.2 1.0
NE2 B:HIS134 3.2 27.8 1.0
CB B:SER132 3.7 11.5 1.0
O B:HOH2074 4.0 16.7 1.0
CD2 B:HIS134 4.0 22.2 1.0
CE1 B:HIS134 4.1 24.4 1.0
CG2 B:ILE120 4.1 15.3 1.0
CD1 B:ILE120 4.8 14.6 1.0
CE B:MET118 4.9 28.2 1.0

Bromine binding site 8 out of 10 in 1gqb

Go back to Bromine Binding Sites List in 1gqb
Bromine binding site 8 out of 10 in the Human Mir-Receptor, Repeat 11


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Human Mir-Receptor, Repeat 11 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1144

b:22.6
occ:0.50
 N B:SER66 3.2 10.1 1.0
CB B:SER66 3.6 12.9 1.0
O B:HOH2018 3.7 21.9 1.0
CA B:ILE65 3.9 6.0 1.0
CA B:SER66 4.1 11.1 1.0
C B:ILE65 4.1 12.5 1.0
CB B:SER89 4.2 10.5 1.0
CG2 B:ILE65 4.4 11.9 1.0
CG B:PRO53 4.4 9.3 1.0
O B:ARG64 4.5 8.6 1.0
CB B:ILE65 4.6 8.9 1.0
CG1 B:ILE65 4.8 11.0 1.0
OG B:SER89 4.9 17.3 0.5
OG B:SER66 5.0 18.0 1.0
N B:ILE65 5.0 7.5 1.0

Bromine binding site 9 out of 10 in 1gqb

Go back to Bromine Binding Sites List in 1gqb
Bromine binding site 9 out of 10 in the Human Mir-Receptor, Repeat 11


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Human Mir-Receptor, Repeat 11 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1145

b:25.3
occ:0.50
 N B:LEU122 3.2 13.2 1.0
O B:HOH2003 3.3 32.3 1.0
NZ B:LYS124 3.9 27.6 1.0
O B:LEU122 3.9 11.7 1.0
CA B:SER121 4.0 10.1 1.0
C B:SER121 4.1 11.1 1.0
CA B:LEU122 4.1 13.8 1.0
CB B:LEU122 4.2 20.1 1.0
OG B:SER121 4.3 26.0 1.0
C B:LEU122 4.4 14.0 1.0
O B:ILE120 4.7 12.5 1.0
CB B:SER121 4.8 13.3 1.0
N B:SER121 4.9 7.8 1.0
O B:HOH2026 4.9 17.5 1.0

Bromine binding site 10 out of 10 in 1gqb

Go back to Bromine Binding Sites List in 1gqb
Bromine binding site 10 out of 10 in the Human Mir-Receptor, Repeat 11


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Human Mir-Receptor, Repeat 11 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1146

b:24.1
occ:0.30
 O B:HOH2062 2.2 19.8 0.7
OG1 B:THR135 3.0 18.9 1.0
CB B:THR135 3.6 15.4 1.0
NE1 B:TRP133 3.8 19.0 1.0
CD B:PRO136 4.0 14.8 1.0
CA B:THR135 4.2 13.5 1.0
CD2 B:LEU25 4.4 15.9 1.0
CE2 B:TRP133 4.5 18.1 1.0
CD1 B:LEU137 4.5 19.4 1.0
CD1 B:TRP133 4.6 18.3 1.0
CZ2 B:TRP133 4.7 23.7 1.0
N B:PRO136 4.8 15.7 1.0
CB B:ASN115 4.8 53.9 1.0
CG B:LEU137 4.9 18.4 1.0
CG2 B:THR135 4.9 18.1 1.0
C B:THR135 4.9 15.2 1.0
O B:ASN115 4.9 47.4 1.0

Reference:

I.Uson, B.Schmidt, R.Von Buelow, S.Grimme, K.Von Figura, M.Dauter, K.R.Rajashankar, Z.Dauter, G.M.Sheldrick. Locating the Anomalous Scatterer Substructures in Halide and Sulfur Phasing Acta Crystallogr.,Sect.D V. 59 57 2003.
ISSN: ISSN 0907-4449
PubMed: 12499540
DOI: 10.1107/S090744490201884X
Page generated: Wed Jul 10 16:33:56 2024

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