Chlorine in PDB 2r9h: Crystal Structure of Q207C Mutant of Clc-EC1 in Complex with Fab
Protein crystallography data
The structure of Crystal Structure of Q207C Mutant of Clc-EC1 in Complex with Fab, PDB code: 2r9h
was solved by
W.Nguitragool,
C.Miller,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
50.00 /
3.10
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
233.099,
98.358,
171.922,
90.00,
131.77,
90.00
|
R / Rfree (%)
|
26.1 /
28
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Q207C Mutant of Clc-EC1 in Complex with Fab
(pdb code 2r9h). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the
Crystal Structure of Q207C Mutant of Clc-EC1 in Complex with Fab, PDB code: 2r9h:
Jump to Chlorine binding site number:
1;
2;
3;
4;
Chlorine binding site 1 out
of 4 in 2r9h
Go back to
Chlorine Binding Sites List in 2r9h
Chlorine binding site 1 out
of 4 in the Crystal Structure of Q207C Mutant of Clc-EC1 in Complex with Fab
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Q207C Mutant of Clc-EC1 in Complex with Fab within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1
b:22.6
occ:0.00
|
N
|
A:SER107
|
2.7
|
98.0
|
1.0
|
N
|
A:GLY108
|
3.2
|
0.3
|
1.0
|
CB
|
A:SER107
|
3.3
|
98.0
|
1.0
|
CA
|
A:SER107
|
3.4
|
99.0
|
1.0
|
CD
|
A:PRO110
|
3.6
|
0.7
|
1.0
|
C
|
A:GLY106
|
3.6
|
97.5
|
1.0
|
CG
|
A:PRO110
|
3.7
|
0.1
|
1.0
|
C
|
A:SER107
|
3.8
|
99.4
|
1.0
|
O
|
A:GLY105
|
3.8
|
0.9
|
1.0
|
CA
|
A:GLY106
|
3.8
|
98.0
|
1.0
|
CZ
|
A:PHE348
|
4.1
|
0.5
|
1.0
|
CG2
|
A:ILE448
|
4.2
|
90.7
|
1.0
|
CA
|
A:GLY108
|
4.3
|
99.8
|
1.0
|
OG
|
A:SER107
|
4.5
|
0.1
|
1.0
|
CE1
|
A:PHE348
|
4.5
|
0.1
|
1.0
|
C
|
A:GLY105
|
4.6
|
0.7
|
1.0
|
N
|
A:GLY106
|
4.7
|
0.1
|
1.0
|
O
|
A:GLY106
|
4.7
|
94.2
|
1.0
|
CB
|
A:PRO110
|
4.7
|
100.0
|
1.0
|
N
|
A:ILE109
|
4.9
|
96.8
|
1.0
|
O
|
A:SER107
|
4.9
|
0.4
|
1.0
|
N
|
A:PRO110
|
5.0
|
1.0
|
1.0
|
|
Chlorine binding site 2 out
of 4 in 2r9h
Go back to
Chlorine Binding Sites List in 2r9h
Chlorine binding site 2 out
of 4 in the Crystal Structure of Q207C Mutant of Clc-EC1 in Complex with Fab
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of Q207C Mutant of Clc-EC1 in Complex with Fab within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl2
b:22.6
occ:0.00
|
OH
|
A:TYR445
|
2.6
|
0.4
|
1.0
|
OG
|
A:SER107
|
2.7
|
0.1
|
1.0
|
N
|
A:ILE356
|
2.9
|
95.8
|
1.0
|
CA
|
A:GLY355
|
3.0
|
93.2
|
1.0
|
CB
|
A:SER107
|
3.3
|
98.0
|
1.0
|
OE1
|
A:GLU148
|
3.4
|
0.1
|
1.0
|
C
|
A:GLY355
|
3.5
|
95.0
|
1.0
|
N
|
A:PHE357
|
3.6
|
95.0
|
1.0
|
CZ
|
A:TYR445
|
3.6
|
0.2
|
1.0
|
CE2
|
A:TYR445
|
3.9
|
0.0
|
1.0
|
CD1
|
A:ILE109
|
4.0
|
89.4
|
1.0
|
CB
|
A:PHE357
|
4.0
|
0.4
|
1.0
|
CG2
|
A:ILE356
|
4.1
|
99.6
|
1.0
|
CA
|
A:ILE356
|
4.1
|
95.6
|
1.0
|
CA
|
A:SER107
|
4.2
|
99.0
|
1.0
|
CA
|
A:GLY149
|
4.2
|
98.9
|
1.0
|
N
|
A:GLY149
|
4.2
|
99.5
|
1.0
|
C
|
A:ILE356
|
4.3
|
95.7
|
1.0
|
N
|
A:GLY355
|
4.4
|
93.6
|
1.0
|
CA
|
A:PHE357
|
4.4
|
96.4
|
1.0
|
CG1
|
A:ILE109
|
4.5
|
92.9
|
1.0
|
CB
|
A:ILE356
|
4.5
|
97.3
|
1.0
|
CD
|
A:GLU148
|
4.6
|
0.1
|
1.0
|
O
|
A:GLY355
|
4.7
|
98.0
|
1.0
|
CE1
|
A:PHE348
|
4.7
|
0.1
|
1.0
|
CE1
|
A:TYR445
|
4.8
|
0.4
|
1.0
|
CD1
|
A:PHE357
|
4.9
|
0.7
|
1.0
|
CG
|
A:PHE357
|
5.0
|
0.7
|
1.0
|
|
Chlorine binding site 3 out
of 4 in 2r9h
Go back to
Chlorine Binding Sites List in 2r9h
Chlorine binding site 3 out
of 4 in the Crystal Structure of Q207C Mutant of Clc-EC1 in Complex with Fab
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of Q207C Mutant of Clc-EC1 in Complex with Fab within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl3
b:22.6
occ:0.00
|
N
|
B:SER107
|
2.7
|
90.3
|
1.0
|
CG
|
B:PRO110
|
3.4
|
93.3
|
1.0
|
N
|
B:GLY108
|
3.4
|
95.6
|
1.0
|
CB
|
B:SER107
|
3.4
|
95.9
|
1.0
|
CA
|
B:SER107
|
3.4
|
95.6
|
1.0
|
C
|
B:GLY106
|
3.5
|
88.5
|
1.0
|
CA
|
B:GLY106
|
3.7
|
90.9
|
1.0
|
O
|
B:GLY105
|
3.8
|
92.5
|
1.0
|
CZ
|
B:PHE348
|
3.8
|
96.8
|
1.0
|
C
|
B:SER107
|
3.9
|
95.6
|
1.0
|
CD
|
B:PRO110
|
3.9
|
92.2
|
1.0
|
CE1
|
B:PHE348
|
4.2
|
96.5
|
1.0
|
CG2
|
B:ILE448
|
4.2
|
84.8
|
1.0
|
CA
|
B:GLY108
|
4.5
|
96.3
|
1.0
|
C
|
B:GLY105
|
4.6
|
93.3
|
1.0
|
OG
|
B:SER107
|
4.6
|
97.9
|
1.0
|
N
|
B:GLY106
|
4.6
|
93.0
|
1.0
|
O
|
B:GLY106
|
4.6
|
81.9
|
1.0
|
CB
|
B:PRO110
|
4.8
|
93.6
|
1.0
|
CE2
|
B:PHE348
|
4.8
|
95.9
|
1.0
|
CD1
|
B:ILE448
|
5.0
|
88.2
|
1.0
|
|
Chlorine binding site 4 out
of 4 in 2r9h
Go back to
Chlorine Binding Sites List in 2r9h
Chlorine binding site 4 out
of 4 in the Crystal Structure of Q207C Mutant of Clc-EC1 in Complex with Fab
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of Q207C Mutant of Clc-EC1 in Complex with Fab within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl4
b:22.6
occ:0.00
|
OH
|
B:TYR445
|
2.1
|
0.9
|
1.0
|
N
|
B:ILE356
|
2.8
|
90.5
|
1.0
|
CA
|
B:GLY355
|
2.9
|
88.1
|
1.0
|
OG
|
B:SER107
|
3.0
|
97.9
|
1.0
|
N
|
B:PHE357
|
3.3
|
98.5
|
1.0
|
C
|
B:GLY355
|
3.3
|
88.6
|
1.0
|
CZ
|
B:TYR445
|
3.4
|
0.7
|
1.0
|
CB
|
B:SER107
|
3.5
|
95.9
|
1.0
|
CD1
|
B:ILE109
|
3.7
|
86.8
|
1.0
|
CB
|
B:PHE357
|
3.8
|
0.4
|
1.0
|
CA
|
B:ILE356
|
3.9
|
96.0
|
1.0
|
CE2
|
B:TYR445
|
4.0
|
0.5
|
1.0
|
OE1
|
B:GLU148
|
4.0
|
0.9
|
1.0
|
C
|
B:ILE356
|
4.1
|
97.6
|
1.0
|
CG2
|
B:ILE356
|
4.1
|
91.7
|
1.0
|
CA
|
B:PHE357
|
4.1
|
99.8
|
1.0
|
N
|
B:GLY149
|
4.2
|
98.4
|
1.0
|
N
|
B:GLY355
|
4.3
|
91.9
|
1.0
|
CA
|
B:GLY149
|
4.3
|
97.2
|
1.0
|
CE1
|
B:TYR445
|
4.3
|
0.2
|
1.0
|
CA
|
B:SER107
|
4.4
|
95.6
|
1.0
|
CB
|
B:ILE356
|
4.5
|
95.2
|
1.0
|
O
|
B:GLY355
|
4.5
|
86.8
|
1.0
|
CD1
|
B:PHE357
|
4.8
|
1.0
|
1.0
|
CG1
|
B:ILE109
|
4.8
|
85.0
|
1.0
|
CG
|
B:PHE357
|
4.8
|
0.8
|
1.0
|
CB
|
B:GLU148
|
4.9
|
98.7
|
1.0
|
CE1
|
B:PHE348
|
4.9
|
96.5
|
1.0
|
|
Reference:
C.Miller,
W.Nguitragool.
Crystal Structure of Q207C Mutant of Clc-EC1 in Complex with Fab To Be Published.
Page generated: Sat Jul 20 11:10:44 2024
|