Calcium in PDB 7r2m: SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER).
Protein crystallography data
The structure of SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER)., PDB code: 7r2m
was solved by
K.Carrasco,
A.Cousido Siah,
G.Gogl,
S.Betzi,
A.Mcewen,
C.Kostmann,
G.Trave,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
47.66 /
2.40
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
60.27,
60.71,
143.15,
90,
92.88,
90
|
R / Rfree (%)
|
21.5 /
23.9
|
Calcium Binding Sites:
The binding sites of Calcium atom in the SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER).
(pdb code 7r2m). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 9 binding sites of Calcium where determined in the
SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER)., PDB code: 7r2m:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Calcium binding site 1 out
of 9 in 7r2m
Go back to
Calcium Binding Sites List in 7r2m
Calcium binding site 1 out
of 9 in the SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER).
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca501
b:120.2
occ:1.00
|
O
|
D:GLY133
|
2.3
|
86.5
|
1.0
|
O
|
D:VAL134
|
3.0
|
83.9
|
1.0
|
C
|
D:GLY133
|
3.1
|
87.2
|
1.0
|
CA
|
D:GLY133
|
3.7
|
90.5
|
1.0
|
C
|
D:VAL134
|
4.0
|
82.8
|
1.0
|
N
|
D:VAL134
|
4.1
|
85.6
|
1.0
|
CA
|
D:VAL134
|
4.5
|
83.1
|
1.0
|
OE2
|
D:GLU136
|
4.7
|
93.0
|
1.0
|
CB
|
D:VAL134
|
4.9
|
81.3
|
1.0
|
CG
|
D:GLU136
|
5.0
|
86.2
|
1.0
|
|
Calcium binding site 2 out
of 9 in 7r2m
Go back to
Calcium Binding Sites List in 7r2m
Calcium binding site 2 out
of 9 in the SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER).
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca502
b:126.7
occ:1.00
|
OE1
|
D:GLU179
|
3.1
|
81.6
|
1.0
|
O
|
D:LYS171
|
3.4
|
79.7
|
1.0
|
O
|
D:LEU174
|
3.7
|
69.3
|
1.0
|
OE2
|
D:GLU179
|
3.7
|
80.7
|
1.0
|
CD
|
D:GLU179
|
3.8
|
76.5
|
1.0
|
CA
|
D:SER175
|
4.7
|
61.9
|
1.0
|
C
|
D:LYS171
|
4.7
|
78.4
|
1.0
|
CB
|
D:SER175
|
4.8
|
65.5
|
1.0
|
C
|
D:LEU174
|
4.8
|
64.5
|
1.0
|
|
Calcium binding site 3 out
of 9 in 7r2m
Go back to
Calcium Binding Sites List in 7r2m
Calcium binding site 3 out
of 9 in the SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER).
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca503
b:65.5
occ:1.00
|
O
|
D:ARG288
|
2.5
|
65.8
|
1.0
|
O
|
D:HOH619
|
2.5
|
70.2
|
1.0
|
OE1
|
D:GLU330
|
2.5
|
63.3
|
1.0
|
O
|
D:GLY290
|
2.5
|
61.3
|
1.0
|
O
|
D:HOH645
|
2.6
|
63.3
|
1.0
|
O
|
D:GLY285
|
2.7
|
58.5
|
1.0
|
OE2
|
D:GLU330
|
2.8
|
63.2
|
1.0
|
CD
|
D:GLU330
|
3.0
|
61.8
|
1.0
|
C
|
D:GLY285
|
3.6
|
55.5
|
1.0
|
C
|
D:GLY290
|
3.6
|
60.4
|
1.0
|
N
|
D:GLY290
|
3.7
|
62.9
|
1.0
|
C
|
D:ARG288
|
3.7
|
67.0
|
1.0
|
OG1
|
D:THR291
|
4.1
|
59.7
|
1.0
|
C
|
D:LYS289
|
4.2
|
67.4
|
1.0
|
CA
|
D:GLY290
|
4.2
|
61.2
|
1.0
|
CA
|
D:VAL286
|
4.2
|
54.6
|
1.0
|
CA
|
D:LYS289
|
4.2
|
71.6
|
1.0
|
N
|
D:VAL286
|
4.3
|
53.9
|
1.0
|
O
|
D:HOH643
|
4.4
|
63.6
|
1.0
|
O
|
D:VAL286
|
4.4
|
60.3
|
1.0
|
C
|
D:VAL286
|
4.4
|
58.7
|
1.0
|
N
|
D:LYS289
|
4.4
|
70.7
|
1.0
|
CA
|
D:GLY285
|
4.4
|
53.3
|
1.0
|
CG
|
D:GLU330
|
4.5
|
57.8
|
1.0
|
CG
|
D:ARG288
|
4.6
|
62.5
|
1.0
|
N
|
D:ARG288
|
4.6
|
65.0
|
1.0
|
CA
|
D:ARG288
|
4.7
|
65.1
|
1.0
|
N
|
D:THR291
|
4.7
|
61.0
|
1.0
|
O
|
D:LYS289
|
5.0
|
68.7
|
1.0
|
|
Calcium binding site 4 out
of 9 in 7r2m
Go back to
Calcium Binding Sites List in 7r2m
Calcium binding site 4 out
of 9 in the SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER).
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca504
b:53.2
occ:1.00
|
O
|
D:GLY363
|
2.5
|
48.7
|
1.0
|
O
|
D:MET361
|
2.5
|
42.3
|
1.0
|
OD2
|
D:ASP405
|
2.6
|
42.8
|
1.0
|
OD1
|
D:ASP405
|
2.6
|
46.0
|
1.0
|
O
|
D:GLY365
|
2.8
|
46.2
|
1.0
|
CG
|
D:ASP405
|
2.9
|
43.7
|
1.0
|
C
|
D:MET361
|
3.6
|
42.0
|
1.0
|
C
|
D:GLY363
|
3.7
|
47.4
|
1.0
|
C
|
D:GLY365
|
3.8
|
44.8
|
1.0
|
N
|
D:GLY365
|
4.0
|
48.5
|
1.0
|
N
|
D:GLY363
|
4.2
|
44.3
|
1.0
|
CA
|
D:MET361
|
4.2
|
41.2
|
1.0
|
C
|
D:LYS362
|
4.3
|
45.4
|
1.0
|
CA
|
D:GLY365
|
4.4
|
46.8
|
1.0
|
CB
|
D:ASP405
|
4.4
|
43.4
|
1.0
|
CA
|
D:GLY363
|
4.4
|
44.1
|
1.0
|
O
|
D:LYS362
|
4.4
|
47.8
|
1.0
|
C
|
D:LYS364
|
4.4
|
48.5
|
1.0
|
N
|
D:LYS362
|
4.6
|
44.1
|
1.0
|
OG1
|
D:THR366
|
4.6
|
41.9
|
1.0
|
N
|
D:LYS364
|
4.7
|
48.6
|
1.0
|
CA
|
D:LYS364
|
4.8
|
48.9
|
1.0
|
CB
|
D:MET361
|
4.8
|
40.2
|
1.0
|
CA
|
D:LYS362
|
4.9
|
44.2
|
1.0
|
N
|
D:THR366
|
4.9
|
42.7
|
1.0
|
O
|
D:LYS364
|
5.0
|
48.7
|
1.0
|
CA
|
D:ASP405
|
5.0
|
45.4
|
1.0
|
|
Calcium binding site 5 out
of 9 in 7r2m
Go back to
Calcium Binding Sites List in 7r2m
Calcium binding site 5 out
of 9 in the SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER).
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca508
b:123.8
occ:1.00
|
O
|
D:ARG328
|
2.8
|
58.4
|
1.0
|
O
|
D:VAL331
|
2.8
|
55.5
|
1.0
|
OE1
|
D:GLU336
|
3.1
|
57.7
|
1.0
|
OE2
|
D:GLU336
|
3.4
|
55.9
|
1.0
|
CD
|
D:GLU336
|
3.5
|
54.4
|
1.0
|
C
|
D:VAL331
|
3.8
|
55.8
|
1.0
|
C
|
D:ARG328
|
3.8
|
54.7
|
1.0
|
O
|
D:HOH632
|
3.8
|
60.7
|
1.0
|
CB
|
D:LYS332
|
3.8
|
62.1
|
1.0
|
CA
|
D:LYS332
|
4.0
|
60.8
|
1.0
|
N
|
D:LYS332
|
4.3
|
58.8
|
1.0
|
CA
|
D:ARG328
|
4.3
|
51.5
|
1.0
|
CG
|
D:GLU336
|
4.7
|
50.6
|
1.0
|
O
|
D:ILE327
|
4.8
|
52.3
|
1.0
|
N
|
D:VAL331
|
4.9
|
54.0
|
1.0
|
N
|
D:LYS329
|
4.9
|
55.5
|
1.0
|
CA
|
D:VAL331
|
5.0
|
54.2
|
1.0
|
CG
|
D:LYS332
|
5.0
|
66.6
|
1.0
|
|
Calcium binding site 6 out
of 9 in 7r2m
Go back to
Calcium Binding Sites List in 7r2m
Calcium binding site 6 out
of 9 in the SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER).
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca501
b:103.4
occ:1.00
|
O
|
A:VAL134
|
2.5
|
94.9
|
1.0
|
O
|
A:GLY133
|
3.4
|
97.7
|
1.0
|
C
|
A:VAL134
|
3.8
|
94.8
|
1.0
|
C
|
A:GLY133
|
4.1
|
99.6
|
1.0
|
CA
|
A:ASP135
|
4.5
|
91.1
|
1.0
|
N
|
A:ASP135
|
4.6
|
93.2
|
1.0
|
N
|
A:VAL134
|
4.6
|
99.5
|
1.0
|
N
|
A:GLU136
|
4.7
|
87.5
|
1.0
|
CG
|
A:GLU136
|
4.7
|
98.6
|
1.0
|
CA
|
A:VAL134
|
4.7
|
96.1
|
1.0
|
CA
|
A:GLY133
|
4.8
|
103.1
|
1.0
|
|
Calcium binding site 7 out
of 9 in 7r2m
Go back to
Calcium Binding Sites List in 7r2m
Calcium binding site 7 out
of 9 in the SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER).
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca502
b:91.6
occ:1.00
|
O
|
A:HOH633
|
2.3
|
64.9
|
1.0
|
OE1
|
A:GLU330
|
2.5
|
73.9
|
1.0
|
O
|
A:GLY285
|
2.7
|
72.0
|
1.0
|
O
|
A:GLY290
|
2.7
|
75.7
|
1.0
|
O
|
A:ARG288
|
2.9
|
88.4
|
0.6
|
OE2
|
A:GLU330
|
2.9
|
73.2
|
1.0
|
O
|
A:ARG288
|
3.0
|
88.6
|
0.5
|
CD
|
A:GLU330
|
3.1
|
71.5
|
1.0
|
N
|
A:GLY290
|
3.4
|
81.9
|
1.0
|
C
|
A:GLY290
|
3.6
|
76.9
|
1.0
|
C
|
A:ARG288
|
3.6
|
89.1
|
0.5
|
C
|
A:GLY285
|
3.7
|
67.2
|
1.0
|
C
|
A:ARG288
|
3.7
|
89.2
|
0.6
|
C
|
A:LYS289
|
3.9
|
82.9
|
1.0
|
CA
|
A:GLY290
|
4.0
|
80.6
|
1.0
|
CA
|
A:LYS289
|
4.0
|
85.0
|
1.0
|
N
|
A:LYS289
|
4.3
|
89.2
|
1.0
|
O
|
A:VAL286
|
4.4
|
72.6
|
1.0
|
OG1
|
A:THR291
|
4.5
|
70.6
|
1.0
|
CA
|
A:VAL286
|
4.5
|
65.3
|
1.0
|
N
|
A:VAL286
|
4.5
|
64.9
|
1.0
|
CA
|
A:GLY285
|
4.5
|
64.7
|
1.0
|
CG
|
A:ARG288
|
4.5
|
89.9
|
0.5
|
CG
|
A:GLU330
|
4.6
|
68.8
|
1.0
|
C
|
A:VAL286
|
4.6
|
69.4
|
1.0
|
N
|
A:THR291
|
4.7
|
74.4
|
1.0
|
N
|
A:ARG288
|
4.8
|
86.3
|
0.6
|
CA
|
A:ARG288
|
4.8
|
89.0
|
0.5
|
N
|
A:ARG288
|
4.8
|
86.3
|
0.5
|
CA
|
A:ARG288
|
4.8
|
89.1
|
0.6
|
O
|
A:LYS289
|
4.9
|
82.5
|
1.0
|
CG
|
A:ARG288
|
4.9
|
90.0
|
0.6
|
|
Calcium binding site 8 out
of 9 in 7r2m
Go back to
Calcium Binding Sites List in 7r2m
Calcium binding site 8 out
of 9 in the SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER).
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca503
b:66.0
occ:1.00
|
O
|
A:GLY365
|
2.5
|
57.4
|
1.0
|
OD2
|
A:ASP405
|
2.5
|
59.1
|
1.0
|
OD1
|
A:ASP405
|
2.5
|
61.0
|
1.0
|
O
|
A:GLY363
|
2.5
|
57.8
|
1.0
|
O
|
A:MET361
|
2.7
|
57.9
|
1.0
|
CG
|
A:ASP405
|
2.8
|
58.3
|
1.0
|
C
|
A:GLY365
|
3.5
|
55.9
|
1.0
|
C
|
A:MET361
|
3.6
|
53.8
|
1.0
|
C
|
A:GLY363
|
3.7
|
57.9
|
1.0
|
N
|
A:GLY365
|
3.8
|
59.3
|
1.0
|
CA
|
A:GLY365
|
4.1
|
57.1
|
1.0
|
CA
|
A:MET361
|
4.2
|
51.5
|
1.0
|
N
|
A:GLY363
|
4.3
|
56.0
|
1.0
|
CB
|
A:ASP405
|
4.3
|
57.4
|
1.0
|
C
|
A:LYS364
|
4.3
|
60.3
|
1.0
|
OG1
|
A:THR366
|
4.3
|
48.9
|
1.0
|
C
|
A:LYS362
|
4.3
|
55.0
|
1.0
|
O
|
A:LYS362
|
4.5
|
55.6
|
1.0
|
N
|
A:LYS362
|
4.6
|
53.5
|
1.0
|
CA
|
A:GLY363
|
4.6
|
55.9
|
1.0
|
N
|
A:THR366
|
4.6
|
54.4
|
1.0
|
N
|
A:LYS364
|
4.6
|
58.6
|
1.0
|
O
|
A:HOH610
|
4.6
|
38.4
|
1.0
|
CA
|
A:LYS364
|
4.7
|
60.0
|
1.0
|
CB
|
A:MET361
|
4.8
|
48.9
|
1.0
|
CA
|
A:THR366
|
4.9
|
53.5
|
1.0
|
CA
|
A:LYS362
|
4.9
|
54.3
|
1.0
|
O
|
A:LYS364
|
4.9
|
61.5
|
1.0
|
CA
|
A:ASP405
|
4.9
|
59.1
|
1.0
|
|
Calcium binding site 9 out
of 9 in 7r2m
Go back to
Calcium Binding Sites List in 7r2m
Calcium binding site 9 out
of 9 in the SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER).
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of SYNJ2BP Complex with A Synthetic VANGL2 Peptide (9MER). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca506
b:142.1
occ:1.00
|
O
|
A:VAL331
|
2.7
|
75.3
|
1.0
|
O
|
A:ARG328
|
3.2
|
76.1
|
1.0
|
CB
|
A:LYS332
|
3.4
|
84.3
|
1.0
|
C
|
A:VAL331
|
3.5
|
76.2
|
1.0
|
CA
|
A:LYS332
|
3.9
|
81.3
|
1.0
|
N
|
A:LYS332
|
4.1
|
78.6
|
1.0
|
C
|
A:ARG328
|
4.3
|
72.1
|
1.0
|
CG
|
A:LYS332
|
4.3
|
86.8
|
1.0
|
N
|
A:VAL331
|
4.5
|
75.0
|
1.0
|
OE1
|
A:GLU336
|
4.5
|
70.7
|
1.0
|
CA
|
A:VAL331
|
4.6
|
75.2
|
1.0
|
CD
|
A:LYS332
|
4.6
|
90.6
|
1.0
|
CD
|
A:GLU336
|
4.8
|
68.1
|
1.0
|
C
|
A:GLU330
|
4.8
|
76.7
|
1.0
|
C
|
A:LYS329
|
4.8
|
72.2
|
1.0
|
OE2
|
A:GLU336
|
4.9
|
67.5
|
1.0
|
O
|
A:LYS329
|
5.0
|
72.5
|
1.0
|
N
|
A:GLU330
|
5.0
|
72.0
|
1.0
|
|
Reference:
K.Carrasco,
A.Cousido Siah,
G.Gogl,
S.Betzi,
A.Mcewen,
C.Kostmann,
G.Trave.
SYNJ2BP Pdz Domain in Complex with A Synthetic VANGL2 Peptide. To Be Published.
Page generated: Fri Jul 19 03:35:55 2024
|