Chlorine in PDB 2xb6: Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex
Protein crystallography data
The structure of Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex, PDB code: 2xb6
was solved by
P.Leone,
D.Comoletti,
G.Ferracci,
S.Conrod,
S.U.Garcia,
P.Taylor,
Y.Bourne,
P.Marchot,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.00 /
2.60
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
136.307,
198.779,
85.896,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.4 /
23.6
|
Other elements in 2xb6:
The structure of Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex
(pdb code 2xb6). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the
Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex, PDB code: 2xb6:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
Chlorine binding site 1 out
of 5 in 2xb6
Go back to
Chlorine Binding Sites List in 2xb6
Chlorine binding site 1 out
of 5 in the Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex
![](/pictures/CL/pdb/xb/2xb6-CL-sphere_01.jpg) Mono view
![](/pictures/CL/pdb/xb/2xb6-CL-sphere_01_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1609
b:46.9
occ:1.00
|
CA
|
A:ARG583
|
3.5
|
18.8
|
1.0
|
C
|
A:ARG583
|
3.6
|
18.6
|
1.0
|
N
|
A:THR585
|
3.6
|
17.9
|
1.0
|
CB
|
A:THR585
|
3.7
|
18.6
|
1.0
|
N
|
A:LYS586
|
3.8
|
18.8
|
1.0
|
CG
|
A:LYS586
|
3.9
|
18.8
|
1.0
|
N
|
A:ALA584
|
4.0
|
17.8
|
1.0
|
O
|
A:ARG583
|
4.0
|
20.0
|
1.0
|
OG1
|
A:THR585
|
4.1
|
17.4
|
1.0
|
CA
|
A:THR585
|
4.1
|
18.2
|
1.0
|
CB
|
A:ARG583
|
4.1
|
19.0
|
1.0
|
C
|
A:THR585
|
4.4
|
18.7
|
1.0
|
CB
|
A:LYS586
|
4.5
|
19.0
|
1.0
|
N
|
A:ARG583
|
4.6
|
18.5
|
1.0
|
C
|
A:ALA584
|
4.6
|
17.8
|
1.0
|
NZ
|
A:LYS586
|
4.6
|
25.6
|
1.0
|
CG
|
A:ARG583
|
4.7
|
19.9
|
1.0
|
CA
|
A:LYS586
|
4.8
|
19.0
|
1.0
|
CA
|
A:ALA584
|
4.9
|
17.7
|
1.0
|
CG2
|
A:THR585
|
4.9
|
17.0
|
1.0
|
CD
|
A:LYS586
|
5.0
|
21.9
|
1.0
|
|
Chlorine binding site 2 out
of 5 in 2xb6
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Chlorine Binding Sites List in 2xb6
Chlorine binding site 2 out
of 5 in the Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex
![](/pictures/CL/pdb/xb/2xb6-CL-sphere_02.jpg) Mono view
![](/pictures/CL/pdb/xb/2xb6-CL-sphere_02_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1610
b:68.9
occ:1.00
|
NZ
|
A:LYS586
|
3.3
|
25.6
|
1.0
|
O
|
A:HOH2120
|
3.3
|
11.8
|
1.0
|
O
|
A:MET423
|
3.5
|
21.3
|
1.0
|
CE
|
A:LYS586
|
3.9
|
25.1
|
1.0
|
O
|
A:THR425
|
4.0
|
21.7
|
1.0
|
O
|
A:HOH2075
|
4.2
|
23.2
|
1.0
|
C
|
A:THR425
|
4.2
|
21.4
|
1.0
|
CA
|
A:TYR424
|
4.3
|
20.6
|
1.0
|
C
|
A:TYR424
|
4.3
|
20.9
|
1.0
|
N
|
A:THR425
|
4.4
|
21.0
|
1.0
|
CG2
|
A:THR439
|
4.4
|
18.6
|
1.0
|
N
|
A:ASP426
|
4.5
|
21.6
|
1.0
|
C
|
A:MET423
|
4.6
|
21.0
|
1.0
|
CA
|
A:ASP426
|
4.7
|
22.1
|
1.0
|
O
|
A:TYR424
|
4.8
|
21.5
|
1.0
|
CA
|
A:THR425
|
4.9
|
20.6
|
1.0
|
N
|
A:TYR424
|
5.0
|
20.7
|
1.0
|
|
Chlorine binding site 3 out
of 5 in 2xb6
Go back to
Chlorine Binding Sites List in 2xb6
Chlorine binding site 3 out
of 5 in the Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex
![](/pictures/CL/pdb/xb/2xb6-CL-sphere_03.jpg) Mono view
![](/pictures/CL/pdb/xb/2xb6-CL-sphere_03_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1613
b:49.0
occ:1.00
|
N
|
B:THR585
|
3.5
|
17.9
|
1.0
|
CA
|
B:ARG583
|
3.5
|
18.8
|
1.0
|
CB
|
B:THR585
|
3.6
|
18.5
|
1.0
|
C
|
B:ARG583
|
3.6
|
18.6
|
1.0
|
N
|
B:LYS586
|
3.7
|
18.9
|
1.0
|
CG
|
B:LYS586
|
3.8
|
19.3
|
1.0
|
O
|
B:HOH2154
|
3.9
|
49.1
|
1.0
|
OG1
|
B:THR585
|
3.9
|
17.1
|
1.0
|
N
|
B:ALA584
|
3.9
|
17.8
|
1.0
|
CA
|
B:THR585
|
4.0
|
18.2
|
1.0
|
O
|
B:ARG583
|
4.1
|
19.7
|
1.0
|
CB
|
B:ARG583
|
4.2
|
18.9
|
1.0
|
C
|
B:THR585
|
4.3
|
18.6
|
1.0
|
CB
|
B:LYS586
|
4.4
|
18.9
|
1.0
|
C
|
B:ALA584
|
4.6
|
17.9
|
1.0
|
NZ
|
B:LYS586
|
4.6
|
25.4
|
1.0
|
N
|
B:ARG583
|
4.6
|
18.3
|
1.0
|
CA
|
B:LYS586
|
4.6
|
18.9
|
1.0
|
CG
|
B:ARG583
|
4.8
|
19.9
|
1.0
|
CG2
|
B:THR585
|
4.9
|
17.0
|
1.0
|
CA
|
B:ALA584
|
4.9
|
17.8
|
1.0
|
CD
|
B:LYS586
|
4.9
|
21.7
|
1.0
|
|
Chlorine binding site 4 out
of 5 in 2xb6
Go back to
Chlorine Binding Sites List in 2xb6
Chlorine binding site 4 out
of 5 in the Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex
![](/pictures/CL/pdb/xb/2xb6-CL-sphere_04.jpg) Mono view
![](/pictures/CL/pdb/xb/2xb6-CL-sphere_04_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1614
b:60.7
occ:1.00
|
O
|
B:HOH2151
|
3.3
|
15.1
|
1.0
|
NZ
|
B:LYS586
|
3.4
|
25.4
|
1.0
|
O
|
B:MET423
|
3.5
|
21.4
|
1.0
|
O
|
B:HOH2117
|
3.9
|
28.4
|
1.0
|
CE
|
B:LYS586
|
4.0
|
24.9
|
1.0
|
O
|
B:THR425
|
4.1
|
21.5
|
1.0
|
C
|
B:THR425
|
4.2
|
21.4
|
1.0
|
CA
|
B:TYR424
|
4.2
|
20.5
|
1.0
|
C
|
B:TYR424
|
4.2
|
21.0
|
1.0
|
N
|
B:THR425
|
4.3
|
21.1
|
1.0
|
N
|
B:ASP426
|
4.3
|
21.6
|
1.0
|
CG2
|
B:THR439
|
4.4
|
18.6
|
1.0
|
CA
|
B:ASP426
|
4.6
|
22.0
|
1.0
|
C
|
B:MET423
|
4.6
|
21.1
|
1.0
|
O
|
B:TYR424
|
4.7
|
21.2
|
1.0
|
CA
|
B:THR425
|
4.8
|
20.9
|
1.0
|
O
|
A:HOH2121
|
4.9
|
14.2
|
1.0
|
N
|
B:TYR424
|
4.9
|
20.6
|
1.0
|
|
Chlorine binding site 5 out
of 5 in 2xb6
Go back to
Chlorine Binding Sites List in 2xb6
Chlorine binding site 5 out
of 5 in the Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex
![](/pictures/CL/pdb/xb/2xb6-CL-sphere_05.jpg) Mono view
![](/pictures/CL/pdb/xb/2xb6-CL-sphere_05_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1615
b:82.9
occ:1.00
|
OE2
|
B:GLU592
|
3.2
|
36.8
|
1.0
|
O
|
B:HOH2130
|
3.6
|
23.2
|
1.0
|
NZ
|
A:LYS430
|
4.1
|
27.9
|
1.0
|
CD
|
B:GLU592
|
4.4
|
34.4
|
1.0
|
CA
|
B:ALA588
|
4.4
|
18.1
|
1.0
|
O
|
B:HOH2131
|
4.6
|
28.9
|
1.0
|
CB
|
B:ALA588
|
4.6
|
17.4
|
1.0
|
CB
|
B:LEU591
|
4.8
|
22.6
|
1.0
|
CZ3
|
A:TRP427
|
4.8
|
17.5
|
1.0
|
CD1
|
B:LEU591
|
4.8
|
21.4
|
1.0
|
CE3
|
A:TRP427
|
4.8
|
18.2
|
1.0
|
O
|
B:HOH2058
|
4.9
|
36.0
|
1.0
|
CG1
|
B:VAL587
|
4.9
|
15.8
|
1.0
|
N
|
B:ALA588
|
4.9
|
18.0
|
1.0
|
CE
|
A:LYS430
|
4.9
|
26.0
|
1.0
|
|
Reference:
P.Leone,
D.Comoletti,
G.Ferracci,
S.Conrod,
S.U.Garcia,
P.Taylor,
Y.Bourne,
P.Marchot.
Structural Insights Into the Exquisite Selectivity of Neurexin-Neuroligin Synaptic Interactions Embo J. V. 29 2461 2010.
ISSN: ISSN 0261-4189
PubMed: 20543817
DOI: 10.1038/EMBOJ.2010.123
Page generated: Sat Jul 20 13:40:58 2024
|