Calcium in PDB 8sgt: Cryo-Em Structure of Human NCX1 in CA2+ Bound, Activated State (Group II in the Presence of 0.5 Mm CA2+)
Calcium Binding Sites:
The binding sites of Calcium atom in the Cryo-Em Structure of Human NCX1 in CA2+ Bound, Activated State (Group II in the Presence of 0.5 Mm CA2+)
(pdb code 8sgt). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the
Cryo-Em Structure of Human NCX1 in CA2+ Bound, Activated State (Group II in the Presence of 0.5 Mm CA2+), PDB code: 8sgt:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
Calcium binding site 1 out
of 6 in 8sgt
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Calcium Binding Sites List in 8sgt
Calcium binding site 1 out
of 6 in the Cryo-Em Structure of Human NCX1 in CA2+ Bound, Activated State (Group II in the Presence of 0.5 Mm CA2+)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Cryo-Em Structure of Human NCX1 in CA2+ Bound, Activated State (Group II in the Presence of 0.5 Mm CA2+) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1001
b:68.8
occ:1.00
|
OD2
|
A:ASP421
|
2.1
|
84.7
|
1.0
|
OE2
|
A:GLU451
|
2.5
|
36.6
|
1.0
|
OD1
|
A:ASP421
|
2.5
|
84.7
|
1.0
|
CG
|
A:ASP421
|
2.6
|
84.7
|
1.0
|
OE2
|
A:GLU454
|
3.0
|
72.8
|
1.0
|
CD
|
A:GLU451
|
3.6
|
36.6
|
1.0
|
CD
|
A:GLU454
|
3.9
|
72.8
|
1.0
|
OE1
|
A:GLU454
|
4.0
|
72.8
|
1.0
|
CB
|
A:ASP421
|
4.1
|
84.7
|
1.0
|
ND2
|
A:ASN417
|
4.3
|
97.3
|
1.0
|
OE1
|
A:GLU451
|
4.4
|
36.6
|
1.0
|
CA
|
A:CA1002
|
4.4
|
51.0
|
1.0
|
CG
|
A:GLU451
|
4.6
|
36.6
|
1.0
|
OE2
|
A:GLU660
|
4.8
|
83.0
|
1.0
|
N
|
A:ASN417
|
5.0
|
97.3
|
1.0
|
CA
|
A:ASP421
|
5.0
|
84.7
|
1.0
|
|
Calcium binding site 2 out
of 6 in 8sgt
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Calcium Binding Sites List in 8sgt
Calcium binding site 2 out
of 6 in the Cryo-Em Structure of Human NCX1 in CA2+ Bound, Activated State (Group II in the Presence of 0.5 Mm CA2+)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Cryo-Em Structure of Human NCX1 in CA2+ Bound, Activated State (Group II in the Presence of 0.5 Mm CA2+) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1002
b:51.0
occ:1.00
|
OD1
|
A:ASP421
|
2.3
|
84.7
|
1.0
|
OE1
|
A:GLU451
|
2.3
|
36.6
|
1.0
|
OE2
|
A:GLU385
|
2.6
|
66.4
|
1.0
|
CD
|
A:GLU451
|
3.2
|
36.6
|
1.0
|
OE2
|
A:GLU451
|
3.3
|
36.6
|
1.0
|
CG
|
A:ASP421
|
3.4
|
84.7
|
1.0
|
CD
|
A:GLU385
|
3.7
|
66.4
|
1.0
|
OE1
|
A:GLU454
|
3.8
|
72.8
|
1.0
|
CB
|
A:ASP421
|
3.8
|
84.7
|
1.0
|
CA
|
A:CA1004
|
3.9
|
47.8
|
1.0
|
CA
|
A:ASP421
|
4.1
|
84.7
|
1.0
|
CG
|
A:GLU385
|
4.1
|
66.4
|
1.0
|
CA
|
A:CA1001
|
4.4
|
68.8
|
1.0
|
O
|
A:ILE445
|
4.4
|
85.0
|
1.0
|
OD2
|
A:ASP421
|
4.4
|
84.7
|
1.0
|
OD2
|
A:ASP447
|
4.5
|
56.5
|
1.0
|
CG
|
A:GLU451
|
4.6
|
36.6
|
1.0
|
O
|
A:ASP421
|
4.6
|
84.7
|
1.0
|
CG2
|
A:ILE496
|
4.6
|
79.1
|
1.0
|
O
|
A:SER420
|
4.7
|
97.5
|
1.0
|
OD1
|
A:ASP447
|
4.7
|
56.5
|
1.0
|
OE1
|
A:GLU385
|
4.7
|
66.4
|
1.0
|
CD
|
A:GLU454
|
4.9
|
72.8
|
1.0
|
C
|
A:ASP421
|
4.9
|
84.7
|
1.0
|
CB
|
A:GLU451
|
5.0
|
36.6
|
1.0
|
|
Calcium binding site 3 out
of 6 in 8sgt
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Calcium Binding Sites List in 8sgt
Calcium binding site 3 out
of 6 in the Cryo-Em Structure of Human NCX1 in CA2+ Bound, Activated State (Group II in the Presence of 0.5 Mm CA2+)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Cryo-Em Structure of Human NCX1 in CA2+ Bound, Activated State (Group II in the Presence of 0.5 Mm CA2+) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1003
b:81.1
occ:1.00
|
OE1
|
A:GLU385
|
2.2
|
66.4
|
1.0
|
OD1
|
A:ASP500
|
2.4
|
44.8
|
1.0
|
OD1
|
A:ASP446
|
2.5
|
66.7
|
1.0
|
O
|
A:ASP447
|
2.5
|
56.5
|
1.0
|
OD2
|
A:ASP500
|
2.6
|
44.8
|
1.0
|
CG
|
A:ASP500
|
2.8
|
44.8
|
1.0
|
CD
|
A:GLU385
|
3.5
|
66.4
|
1.0
|
CG
|
A:ASP446
|
3.5
|
66.7
|
1.0
|
C
|
A:ASP447
|
3.7
|
56.5
|
1.0
|
OD1
|
A:ASP499
|
3.8
|
56.3
|
1.0
|
OD2
|
A:ASP446
|
3.9
|
66.7
|
1.0
|
CA
|
A:CA1004
|
4.1
|
47.8
|
1.0
|
OD2
|
A:ASP499
|
4.1
|
56.3
|
1.0
|
N
|
A:ASP447
|
4.1
|
56.5
|
1.0
|
CG
|
A:ASP499
|
4.2
|
56.3
|
1.0
|
CB
|
A:ASP500
|
4.2
|
44.8
|
1.0
|
CG
|
A:GLU385
|
4.3
|
66.4
|
1.0
|
CB
|
A:GLU385
|
4.3
|
66.4
|
1.0
|
OE2
|
A:GLU385
|
4.4
|
66.4
|
1.0
|
OD1
|
A:ASP498
|
4.5
|
54.7
|
1.0
|
CZ
|
A:PHE621
|
4.5
|
55.5
|
1.0
|
CE1
|
A:PHE621
|
4.5
|
55.5
|
1.0
|
CA
|
A:ASP447
|
4.6
|
56.5
|
1.0
|
N
|
A:ASP448
|
4.6
|
41.1
|
1.0
|
CA
|
A:ASP448
|
4.7
|
41.1
|
1.0
|
OD1
|
A:ASP447
|
4.8
|
56.5
|
1.0
|
N
|
A:ASP500
|
4.8
|
44.8
|
1.0
|
CA
|
A:ASP500
|
4.8
|
44.8
|
1.0
|
CB
|
A:ASP446
|
4.8
|
66.7
|
1.0
|
N
|
A:ASP499
|
4.9
|
56.3
|
1.0
|
C
|
A:ASP499
|
5.0
|
56.3
|
1.0
|
|
Calcium binding site 4 out
of 6 in 8sgt
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Calcium Binding Sites List in 8sgt
Calcium binding site 4 out
of 6 in the Cryo-Em Structure of Human NCX1 in CA2+ Bound, Activated State (Group II in the Presence of 0.5 Mm CA2+)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Cryo-Em Structure of Human NCX1 in CA2+ Bound, Activated State (Group II in the Presence of 0.5 Mm CA2+) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1004
b:47.8
occ:1.00
|
OE2
|
A:GLU385
|
2.2
|
66.4
|
1.0
|
OD2
|
A:ASP500
|
2.5
|
44.8
|
1.0
|
OD1
|
A:ASP447
|
2.6
|
56.5
|
1.0
|
O
|
A:ILE449
|
2.6
|
34.8
|
1.0
|
OE1
|
A:GLU451
|
2.7
|
36.6
|
1.0
|
OE1
|
A:GLU385
|
2.7
|
66.4
|
1.0
|
OD1
|
A:ASP498
|
2.8
|
54.7
|
1.0
|
CD
|
A:GLU385
|
2.8
|
66.4
|
1.0
|
CD
|
A:GLU451
|
3.6
|
36.6
|
1.0
|
CG
|
A:ASP500
|
3.7
|
44.8
|
1.0
|
CG
|
A:ASP447
|
3.8
|
56.5
|
1.0
|
C
|
A:ILE449
|
3.8
|
34.8
|
1.0
|
CG
|
A:ASP498
|
3.9
|
54.7
|
1.0
|
CA
|
A:CA1002
|
3.9
|
51.0
|
1.0
|
CG
|
A:GLU451
|
4.0
|
36.6
|
1.0
|
CA
|
A:CA1003
|
4.1
|
81.1
|
1.0
|
O
|
A:ASP447
|
4.1
|
56.5
|
1.0
|
N
|
A:ILE449
|
4.1
|
34.8
|
1.0
|
CG
|
A:GLU385
|
4.3
|
66.4
|
1.0
|
OD2
|
A:ASP447
|
4.3
|
56.5
|
1.0
|
CB
|
A:ASP500
|
4.4
|
44.8
|
1.0
|
C
|
A:ASP447
|
4.5
|
56.5
|
1.0
|
CA
|
A:ILE449
|
4.5
|
34.8
|
1.0
|
CB
|
A:GLU451
|
4.5
|
36.6
|
1.0
|
OE2
|
A:GLU451
|
4.6
|
36.6
|
1.0
|
CB
|
A:ASP498
|
4.7
|
54.7
|
1.0
|
OD1
|
A:ASP500
|
4.7
|
44.8
|
1.0
|
N
|
A:ASP447
|
4.7
|
56.5
|
1.0
|
OD2
|
A:ASP498
|
4.7
|
54.7
|
1.0
|
N
|
A:GLU451
|
4.8
|
36.6
|
1.0
|
CB
|
A:ILE449
|
4.8
|
34.8
|
1.0
|
C
|
A:ASP448
|
4.9
|
41.1
|
1.0
|
N
|
A:PHE450
|
4.9
|
31.2
|
1.0
|
CB
|
A:ASP447
|
4.9
|
56.5
|
1.0
|
CA
|
A:ASP447
|
4.9
|
56.5
|
1.0
|
N
|
A:ASP448
|
5.0
|
41.1
|
1.0
|
C
|
A:PHE450
|
5.0
|
31.2
|
1.0
|
|
Calcium binding site 5 out
of 6 in 8sgt
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Calcium Binding Sites List in 8sgt
Calcium binding site 5 out
of 6 in the Cryo-Em Structure of Human NCX1 in CA2+ Bound, Activated State (Group II in the Presence of 0.5 Mm CA2+)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Cryo-Em Structure of Human NCX1 in CA2+ Bound, Activated State (Group II in the Presence of 0.5 Mm CA2+) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1005
b:101.2
occ:1.00
|
OD1
|
A:ASP578
|
2.4
|
116.4
|
1.0
|
OE1
|
A:GLU516
|
2.5
|
90.3
|
1.0
|
OE2
|
A:GLU683
|
2.5
|
122.6
|
1.0
|
OE1
|
A:GLU683
|
2.6
|
122.6
|
1.0
|
O
|
A:GLU580
|
2.7
|
154.3
|
1.0
|
CD
|
A:GLU683
|
2.9
|
122.6
|
1.0
|
OE2
|
A:GLU516
|
3.2
|
90.3
|
1.0
|
CD
|
A:GLU516
|
3.2
|
90.3
|
1.0
|
CG
|
A:ASP578
|
3.5
|
116.4
|
1.0
|
O
|
A:ASP578
|
3.8
|
116.4
|
1.0
|
C
|
A:GLU580
|
3.9
|
154.3
|
1.0
|
OD2
|
A:ASP578
|
4.0
|
116.4
|
1.0
|
N
|
A:GLU582
|
4.3
|
166.1
|
1.0
|
CG
|
A:GLU683
|
4.4
|
122.6
|
1.0
|
C
|
A:ASP578
|
4.5
|
116.4
|
1.0
|
CA
|
A:TYR581
|
4.5
|
186.6
|
1.0
|
N
|
A:ASP578
|
4.7
|
116.4
|
1.0
|
CG
|
A:GLU516
|
4.7
|
90.3
|
1.0
|
N
|
A:TYR581
|
4.7
|
186.6
|
1.0
|
CB
|
A:ASP578
|
4.8
|
116.4
|
1.0
|
CA
|
A:ASP578
|
4.9
|
116.4
|
1.0
|
CB
|
A:GLU582
|
4.9
|
166.1
|
1.0
|
N
|
A:GLU580
|
4.9
|
154.3
|
1.0
|
C
|
A:TYR581
|
4.9
|
186.6
|
1.0
|
CA
|
A:GLU580
|
5.0
|
154.3
|
1.0
|
|
Calcium binding site 6 out
of 6 in 8sgt
Go back to
Calcium Binding Sites List in 8sgt
Calcium binding site 6 out
of 6 in the Cryo-Em Structure of Human NCX1 in CA2+ Bound, Activated State (Group II in the Presence of 0.5 Mm CA2+)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Cryo-Em Structure of Human NCX1 in CA2+ Bound, Activated State (Group II in the Presence of 0.5 Mm CA2+) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1006
b:183.7
occ:1.00
|
OD2
|
A:ASP578
|
2.7
|
116.4
|
1.0
|
CG
|
A:ASP578
|
3.2
|
116.4
|
1.0
|
CG
|
A:ASP552
|
3.3
|
78.1
|
1.0
|
OD1
|
A:ASP552
|
3.4
|
78.1
|
1.0
|
OD2
|
A:ASP552
|
3.4
|
78.1
|
1.0
|
OE2
|
A:GLU516
|
3.8
|
90.3
|
1.0
|
OD1
|
A:ASP578
|
3.8
|
116.4
|
1.0
|
CB
|
A:ASP578
|
3.8
|
116.4
|
1.0
|
CB
|
A:ASP552
|
3.9
|
78.1
|
1.0
|
OE1
|
A:GLU582
|
4.4
|
166.1
|
1.0
|
CA
|
A:ASP552
|
4.5
|
78.1
|
1.0
|
O
|
A:ILE576
|
4.6
|
92.3
|
1.0
|
O
|
A:GLU551
|
4.6
|
72.3
|
1.0
|
NZ
|
A:LYS585
|
4.7
|
103.8
|
1.0
|
CD
|
A:LYS585
|
4.7
|
103.8
|
1.0
|
N
|
A:ASP578
|
4.9
|
116.4
|
1.0
|
CE
|
A:LYS585
|
5.0
|
103.8
|
1.0
|
CA
|
A:ASP578
|
5.0
|
116.4
|
1.0
|
|
Reference:
J.Xue,
Y.Han,
W.Zeng,
Y.Jiang.
Structural Mechanisms of Human Cardiac Sodium Calcium Exchanger NCX1 To Be Published.
Page generated: Fri Jul 19 11:27:09 2024
|