Bromine in PDB 6emx: X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform
Protein crystallography data
The structure of X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform, PDB code: 6emx
was solved by
Z.Fourati,
M.Delarue,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
28.62 /
3.20
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
179.790,
133.322,
158.767,
90.00,
101.68,
90.00
|
R / Rfree (%)
|
24.6 /
26.8
|
Other elements in 6emx:
The structure of X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform also contains other interesting chemical elements:
Bromine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
18;
Binding sites:
The binding sites of Bromine atom in the X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform
(pdb code 6emx). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 18 binding sites of Bromine where determined in the
X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform, PDB code: 6emx:
Jump to Bromine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Bromine binding site 1 out
of 18 in 6emx
Go back to
Bromine Binding Sites List in 6emx
Bromine binding site 1 out
of 18 in the X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 1 of X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br404
b:0.9
occ:1.00
|
BR2
|
A:MBR404
|
0.0
|
0.9
|
1.0
|
C1
|
A:MBR404
|
1.9
|
0.6
|
1.0
|
H1
|
A:MBR404
|
2.5
|
0.5
|
1.0
|
BR3
|
A:MBR404
|
3.2
|
0.6
|
1.0
|
BR1
|
A:MBR404
|
3.2
|
0.4
|
1.0
|
CG2
|
A:THR255
|
3.6
|
0.3
|
1.0
|
OG1
|
A:THR255
|
3.8
|
0.1
|
1.0
|
CG2
|
A:ILE201
|
3.8
|
0.7
|
1.0
|
CG
|
A:PRO120
|
4.3
|
0.9
|
1.0
|
CD
|
A:PRO120
|
4.3
|
0.8
|
1.0
|
CB
|
A:THR255
|
4.3
|
0.6
|
1.0
|
CG1
|
A:ILE202
|
4.3
|
0.5
|
1.0
|
CG1
|
A:VAL242
|
4.4
|
0.9
|
1.0
|
CD2
|
A:TYR197
|
4.5
|
0.6
|
1.0
|
CB
|
A:ILE201
|
4.7
|
0.1
|
1.0
|
CD1
|
A:ILE202
|
4.9
|
0.4
|
1.0
|
CG2
|
A:VAL242
|
4.9
|
0.5
|
1.0
|
CE2
|
A:TYR119
|
4.9
|
0.2
|
1.0
|
|
Bromine binding site 2 out
of 18 in 6emx
Go back to
Bromine Binding Sites List in 6emx
Bromine binding site 2 out
of 18 in the X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 2 of X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br404
b:0.4
occ:1.00
|
BR1
|
A:MBR404
|
0.0
|
0.4
|
1.0
|
C1
|
A:MBR404
|
1.9
|
0.6
|
1.0
|
H1
|
A:MBR404
|
2.5
|
0.5
|
1.0
|
BR3
|
A:MBR404
|
3.2
|
0.6
|
1.0
|
BR2
|
A:MBR404
|
3.2
|
0.9
|
1.0
|
CG2
|
A:THR255
|
3.7
|
0.3
|
1.0
|
CG2
|
A:ILE258
|
3.9
|
0.7
|
1.0
|
SD
|
A:MET205
|
4.0
|
0.1
|
1.0
|
CD1
|
A:ILE259
|
4.2
|
0.8
|
1.0
|
CG1
|
A:ILE259
|
4.2
|
0.5
|
1.0
|
O
|
A:THR255
|
4.3
|
0.2
|
1.0
|
CB
|
A:ILE258
|
4.3
|
0.8
|
1.0
|
CE
|
A:MET205
|
4.3
|
0.8
|
1.0
|
CA
|
A:THR255
|
4.4
|
0.3
|
1.0
|
CB
|
A:THR255
|
4.5
|
0.6
|
1.0
|
OG1
|
A:THR255
|
4.8
|
0.1
|
1.0
|
C
|
A:THR255
|
4.8
|
0.8
|
1.0
|
CD1
|
A:ILE258
|
4.8
|
0.5
|
1.0
|
CG2
|
A:ILE201
|
4.8
|
0.7
|
1.0
|
N
|
A:ILE259
|
4.9
|
0.5
|
1.0
|
|
Bromine binding site 3 out
of 18 in 6emx
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Bromine Binding Sites List in 6emx
Bromine binding site 3 out
of 18 in the X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 3 of X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br404
b:0.6
occ:1.00
|
BR3
|
A:MBR404
|
0.0
|
0.6
|
1.0
|
C1
|
A:MBR404
|
1.9
|
0.6
|
1.0
|
H1
|
A:MBR404
|
2.5
|
0.5
|
1.0
|
BR1
|
A:MBR404
|
3.2
|
0.4
|
1.0
|
BR2
|
A:MBR404
|
3.2
|
0.9
|
1.0
|
OG1
|
A:THR255
|
3.4
|
0.1
|
1.0
|
CD1
|
A:ILE258
|
3.8
|
0.5
|
1.0
|
CA
|
A:THR255
|
3.8
|
0.3
|
1.0
|
CD
|
A:PRO120
|
3.9
|
0.8
|
1.0
|
CB
|
A:THR255
|
4.0
|
0.6
|
1.0
|
CD2
|
A:TYR254
|
4.1
|
0.4
|
1.0
|
CE2
|
A:TYR254
|
4.2
|
1.0
|
1.0
|
CG2
|
A:THR255
|
4.2
|
0.3
|
1.0
|
CE2
|
A:PHE121
|
4.3
|
0.8
|
1.0
|
N
|
A:THR255
|
4.4
|
0.9
|
1.0
|
O
|
A:TYR119
|
4.6
|
0.3
|
1.0
|
CG1
|
A:ILE202
|
4.7
|
0.5
|
1.0
|
CG
|
A:PRO120
|
4.7
|
0.9
|
1.0
|
CD1
|
A:ILE202
|
4.8
|
0.4
|
1.0
|
C
|
A:TYR254
|
4.8
|
0.6
|
1.0
|
O
|
A:TYR254
|
4.9
|
0.6
|
1.0
|
CG1
|
A:ILE258
|
4.9
|
1.0
|
1.0
|
CB
|
A:ILE258
|
4.9
|
0.8
|
1.0
|
|
Bromine binding site 4 out
of 18 in 6emx
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Bromine Binding Sites List in 6emx
Bromine binding site 4 out
of 18 in the X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 4 of X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br403
b:0.1
occ:1.00
|
BR2
|
B:MBR403
|
0.0
|
0.1
|
1.0
|
C1
|
B:MBR403
|
1.9
|
0.3
|
1.0
|
H1
|
B:MBR403
|
2.5
|
0.3
|
1.0
|
BR1
|
B:MBR403
|
3.2
|
0.1
|
1.0
|
BR3
|
B:MBR403
|
3.2
|
0.7
|
1.0
|
CG2
|
B:THR255
|
3.7
|
0.0
|
1.0
|
OG1
|
B:THR255
|
3.7
|
0.0
|
1.0
|
CG2
|
B:ILE201
|
4.0
|
0.1
|
1.0
|
CG
|
B:PRO120
|
4.1
|
0.3
|
1.0
|
CD
|
B:PRO120
|
4.1
|
0.9
|
1.0
|
CG1
|
B:ILE202
|
4.2
|
0.2
|
1.0
|
CB
|
B:THR255
|
4.3
|
0.1
|
1.0
|
CD2
|
B:TYR197
|
4.5
|
0.1
|
1.0
|
CG1
|
B:VAL242
|
4.6
|
0.7
|
1.0
|
CD1
|
B:ILE202
|
4.7
|
0.9
|
1.0
|
CB
|
B:ILE201
|
4.9
|
0.6
|
1.0
|
CB
|
B:TYR197
|
5.0
|
0.2
|
1.0
|
|
Bromine binding site 5 out
of 18 in 6emx
Go back to
Bromine Binding Sites List in 6emx
Bromine binding site 5 out
of 18 in the X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 5 of X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br403
b:0.1
occ:1.00
|
BR1
|
B:MBR403
|
0.0
|
0.1
|
1.0
|
C1
|
B:MBR403
|
1.9
|
0.3
|
1.0
|
H1
|
B:MBR403
|
2.5
|
0.3
|
1.0
|
BR3
|
B:MBR403
|
3.2
|
0.7
|
1.0
|
BR2
|
B:MBR403
|
3.2
|
0.1
|
1.0
|
CG2
|
B:THR255
|
3.7
|
0.0
|
1.0
|
CG2
|
B:ILE258
|
3.8
|
0.6
|
1.0
|
O
|
B:THR255
|
4.2
|
0.4
|
1.0
|
CB
|
B:ILE258
|
4.2
|
0.8
|
1.0
|
SD
|
B:MET205
|
4.2
|
0.5
|
1.0
|
CG1
|
B:ILE259
|
4.3
|
0.9
|
1.0
|
CA
|
B:THR255
|
4.3
|
0.0
|
1.0
|
CD1
|
B:ILE259
|
4.3
|
0.1
|
1.0
|
CB
|
B:THR255
|
4.4
|
0.1
|
1.0
|
CE
|
B:MET205
|
4.6
|
0.9
|
1.0
|
OG1
|
B:THR255
|
4.7
|
0.0
|
1.0
|
CD1
|
B:ILE258
|
4.7
|
0.9
|
1.0
|
C
|
B:THR255
|
4.7
|
0.3
|
1.0
|
N
|
B:ILE259
|
4.9
|
0.8
|
1.0
|
CG2
|
B:ILE201
|
5.0
|
0.1
|
1.0
|
|
Bromine binding site 6 out
of 18 in 6emx
Go back to
Bromine Binding Sites List in 6emx
Bromine binding site 6 out
of 18 in the X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 6 of X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br403
b:0.7
occ:1.00
|
BR3
|
B:MBR403
|
0.0
|
0.7
|
1.0
|
C1
|
B:MBR403
|
1.9
|
0.3
|
1.0
|
H1
|
B:MBR403
|
2.5
|
0.3
|
1.0
|
BR1
|
B:MBR403
|
3.2
|
0.1
|
1.0
|
BR2
|
B:MBR403
|
3.2
|
0.1
|
1.0
|
OG1
|
B:THR255
|
3.3
|
0.0
|
1.0
|
CD1
|
B:ILE258
|
3.7
|
0.9
|
1.0
|
CA
|
B:THR255
|
3.8
|
0.0
|
1.0
|
CD
|
B:PRO120
|
3.8
|
0.9
|
1.0
|
CD2
|
B:TYR254
|
3.9
|
0.6
|
1.0
|
CE2
|
B:TYR254
|
3.9
|
0.8
|
1.0
|
CB
|
B:THR255
|
4.0
|
0.1
|
1.0
|
CE2
|
B:PHE121
|
4.2
|
0.8
|
1.0
|
N
|
B:THR255
|
4.2
|
0.1
|
1.0
|
CG2
|
B:THR255
|
4.3
|
0.0
|
1.0
|
O
|
B:TYR119
|
4.4
|
0.7
|
1.0
|
C
|
B:TYR254
|
4.6
|
0.2
|
1.0
|
O
|
B:TYR254
|
4.7
|
0.5
|
1.0
|
CG
|
B:PRO120
|
4.7
|
0.3
|
1.0
|
CG1
|
B:ILE258
|
4.8
|
0.8
|
1.0
|
CG
|
B:TYR254
|
4.9
|
0.0
|
1.0
|
CG1
|
B:ILE202
|
4.9
|
0.2
|
1.0
|
CB
|
B:ILE258
|
4.9
|
0.8
|
1.0
|
CD1
|
B:ILE202
|
4.9
|
0.9
|
1.0
|
CZ
|
B:TYR254
|
5.0
|
0.9
|
1.0
|
CD2
|
B:PHE121
|
5.0
|
0.8
|
1.0
|
CZ
|
B:PHE121
|
5.0
|
0.3
|
1.0
|
|
Bromine binding site 7 out
of 18 in 6emx
Go back to
Bromine Binding Sites List in 6emx
Bromine binding site 7 out
of 18 in the X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 7 of X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Br402
b:0.2
occ:1.00
|
BR2
|
C:MBR402
|
0.0
|
0.2
|
1.0
|
C1
|
C:MBR402
|
1.9
|
0.4
|
1.0
|
H1
|
C:MBR402
|
2.5
|
0.6
|
1.0
|
BR1
|
C:MBR402
|
3.2
|
0.6
|
1.0
|
BR3
|
C:MBR402
|
3.2
|
0.3
|
1.0
|
CG2
|
C:THR255
|
3.5
|
0.6
|
1.0
|
OG1
|
C:THR255
|
3.7
|
0.6
|
1.0
|
CG2
|
C:ILE201
|
4.0
|
0.1
|
1.0
|
CG
|
C:PRO120
|
4.1
|
0.8
|
1.0
|
CD
|
C:PRO120
|
4.2
|
0.1
|
1.0
|
CB
|
C:THR255
|
4.2
|
1.0
|
1.0
|
CG1
|
C:VAL242
|
4.3
|
0.2
|
1.0
|
CD2
|
C:TYR197
|
4.3
|
0.3
|
1.0
|
CG1
|
C:ILE202
|
4.4
|
0.6
|
1.0
|
CE2
|
C:TYR119
|
4.8
|
0.6
|
1.0
|
CB
|
C:ILE201
|
4.9
|
0.6
|
1.0
|
CG2
|
C:VAL242
|
4.9
|
0.2
|
1.0
|
CD1
|
C:ILE202
|
5.0
|
0.2
|
1.0
|
|
Bromine binding site 8 out
of 18 in 6emx
Go back to
Bromine Binding Sites List in 6emx
Bromine binding site 8 out
of 18 in the X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 8 of X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Br402
b:0.6
occ:1.00
|
BR1
|
C:MBR402
|
0.0
|
0.6
|
1.0
|
C1
|
C:MBR402
|
1.9
|
0.4
|
1.0
|
H1
|
C:MBR402
|
2.5
|
0.6
|
1.0
|
BR3
|
C:MBR402
|
3.2
|
0.3
|
1.0
|
BR2
|
C:MBR402
|
3.2
|
0.2
|
1.0
|
CG2
|
C:THR255
|
3.7
|
0.6
|
1.0
|
CG2
|
C:ILE258
|
3.9
|
0.4
|
1.0
|
SD
|
C:MET205
|
4.1
|
0.0
|
1.0
|
CD1
|
C:ILE259
|
4.4
|
0.4
|
1.0
|
CG1
|
C:ILE259
|
4.4
|
0.4
|
1.0
|
CB
|
C:ILE258
|
4.4
|
0.8
|
1.0
|
O
|
C:THR255
|
4.4
|
0.8
|
1.0
|
CE
|
C:MET205
|
4.4
|
0.1
|
1.0
|
CA
|
C:THR255
|
4.5
|
0.2
|
1.0
|
CB
|
C:THR255
|
4.5
|
1.0
|
1.0
|
OG1
|
C:THR255
|
4.7
|
0.6
|
1.0
|
CG2
|
C:ILE201
|
4.8
|
0.1
|
1.0
|
CD1
|
C:ILE258
|
4.8
|
0.6
|
1.0
|
C
|
C:THR255
|
4.9
|
0.8
|
1.0
|
CG1
|
C:ILE202
|
5.0
|
0.6
|
1.0
|
|
Bromine binding site 9 out
of 18 in 6emx
Go back to
Bromine Binding Sites List in 6emx
Bromine binding site 9 out
of 18 in the X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 9 of X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Br402
b:0.3
occ:1.00
|
BR3
|
C:MBR402
|
0.0
|
0.3
|
1.0
|
C1
|
C:MBR402
|
1.9
|
0.4
|
1.0
|
H1
|
C:MBR402
|
2.5
|
0.6
|
1.0
|
OG1
|
C:THR255
|
3.1
|
0.6
|
1.0
|
BR1
|
C:MBR402
|
3.2
|
0.6
|
1.0
|
BR2
|
C:MBR402
|
3.2
|
0.2
|
1.0
|
CA
|
C:THR255
|
3.7
|
0.2
|
1.0
|
CD
|
C:PRO120
|
3.7
|
0.1
|
1.0
|
CB
|
C:THR255
|
3.8
|
1.0
|
1.0
|
CD1
|
C:ILE258
|
3.9
|
0.6
|
1.0
|
CD2
|
C:TYR254
|
4.0
|
0.5
|
1.0
|
CG2
|
C:THR255
|
4.0
|
0.6
|
1.0
|
CE2
|
C:TYR254
|
4.1
|
0.8
|
1.0
|
N
|
C:THR255
|
4.2
|
0.3
|
1.0
|
O
|
C:TYR119
|
4.3
|
0.7
|
1.0
|
CE2
|
C:PHE121
|
4.3
|
0.5
|
1.0
|
CG
|
C:PRO120
|
4.5
|
0.8
|
1.0
|
C
|
C:TYR254
|
4.6
|
0.1
|
1.0
|
O
|
C:TYR254
|
4.7
|
0.9
|
1.0
|
N
|
C:PRO120
|
4.8
|
1.0
|
1.0
|
C
|
C:THR255
|
4.9
|
0.8
|
1.0
|
CG1
|
C:ILE258
|
4.9
|
0.6
|
1.0
|
CG1
|
C:ILE202
|
4.9
|
0.6
|
1.0
|
CG
|
C:TYR254
|
5.0
|
0.4
|
1.0
|
CB
|
C:ILE258
|
5.0
|
0.8
|
1.0
|
CD1
|
C:ILE202
|
5.0
|
0.2
|
1.0
|
|
Bromine binding site 10 out
of 18 in 6emx
Go back to
Bromine Binding Sites List in 6emx
Bromine binding site 10 out
of 18 in the X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 10 of X-Ray Structure of the N15'C Mutant of Glic in Complex with Bromoform within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Br403
b:0.8
occ:1.00
|
BR2
|
D:MBR403
|
0.0
|
0.8
|
1.0
|
C1
|
D:MBR403
|
1.9
|
0.7
|
1.0
|
H1
|
D:MBR403
|
2.5
|
0.7
|
1.0
|
BR3
|
D:MBR403
|
3.2
|
0.7
|
1.0
|
BR1
|
D:MBR403
|
3.2
|
0.7
|
1.0
|
CG2
|
D:THR255
|
3.7
|
0.0
|
1.0
|
CG2
|
D:ILE201
|
3.9
|
0.9
|
1.0
|
OG1
|
D:THR255
|
3.9
|
0.6
|
1.0
|
CG1
|
D:ILE202
|
4.1
|
0.1
|
1.0
|
CG
|
D:PRO120
|
4.3
|
0.9
|
1.0
|
CD
|
D:PRO120
|
4.3
|
0.7
|
1.0
|
CB
|
D:THR255
|
4.4
|
0.7
|
1.0
|
CD2
|
D:TYR197
|
4.6
|
0.6
|
1.0
|
CG1
|
D:VAL242
|
4.6
|
0.2
|
1.0
|
CD1
|
D:ILE202
|
4.6
|
0.7
|
1.0
|
CB
|
D:ILE201
|
4.8
|
0.3
|
1.0
|
|
Reference:
Z.Fourati,
R.J.Howard,
S.A.Heusser,
H.Hu,
R.R.Ruza,
L.Sauguet,
E.Lindahl,
M.Delarue.
Structural Basis For A Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels. Cell Rep V. 23 993 2018.
ISSN: ESSN 2211-1247
PubMed: 29694907
DOI: 10.1016/J.CELREP.2018.03.108
Page generated: Thu Jul 11 01:52:49 2024
|