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Calcium in PDB 7tci: Structure of Xenopus KCNQ1-Cam in Complex with ML277

Calcium Binding Sites:

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>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Calcium atom in the Structure of Xenopus KCNQ1-Cam in Complex with ML277 (pdb code 7tci). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 12 binding sites of Calcium where determined in the Structure of Xenopus KCNQ1-Cam in Complex with ML277, PDB code: 7tci:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 12 in 7tci

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Calcium binding site 1 out of 12 in the Structure of Xenopus KCNQ1-Cam in Complex with ML277


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Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Xenopus KCNQ1-Cam in Complex with ML277 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca901

b:149.6
occ:1.00
 O B:THR27 2.6 144.7 1.0
OD2 B:ASP25 2.7 147.5 1.0
C B:THR27 3.0 144.7 1.0
CB B:THR27 3.2 144.7 1.0
CG B:ASP25 3.6 147.5 1.0
CA B:THR27 3.6 144.7 1.0
CG2 B:THR27 3.6 144.7 1.0
N B:ILE28 3.7 140.6 1.0
OD1 B:ASP25 4.0 147.5 1.0
C B:ILE28 4.0 140.6 1.0
N B:THR29 4.0 138.0 1.0
CB B:THR29 4.1 138.0 1.0
OE1 B:GLU32 4.1 141.8 1.0
CA B:ILE28 4.1 140.6 1.0
N B:THR27 4.3 144.7 1.0
CG2 B:THR29 4.3 138.0 1.0
OG1 B:THR27 4.4 144.7 1.0
O B:ILE28 4.5 140.6 1.0
CA B:THR29 4.6 138.0 1.0
OE2 B:GLU32 4.7 141.8 1.0
CD B:GLU32 4.7 141.8 1.0
CB B:ASP25 4.8 147.5 1.0

Calcium binding site 2 out of 12 in 7tci

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Calcium binding site 2 out of 12 in the Structure of Xenopus KCNQ1-Cam in Complex with ML277


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Xenopus KCNQ1-Cam in Complex with ML277 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca902

b:134.9
occ:1.00
 OE2 B:GLU68 2.5 137.8 1.0
OD1 B:ASN61 2.5 129.2 1.0
ND2 B:ASN61 2.6 129.2 1.0
OD1 B:ASP59 2.6 126.1 1.0
OE1 B:GLU68 2.7 137.8 1.0
OD1 B:ASP57 2.8 130.4 1.0
CD B:GLU68 2.8 137.8 1.0
CG B:ASN61 2.8 129.2 1.0
O B:THR63 2.8 132.3 1.0
OD2 B:ASP59 2.9 126.1 1.0
CG B:ASP59 3.1 126.1 1.0
CG B:ASP57 3.8 130.4 1.0
C B:THR63 3.8 132.3 1.0
CG B:GLU68 4.1 137.8 1.0
OD2 B:ASP57 4.2 130.4 1.0
CB B:ASN61 4.2 129.2 1.0
N B:ASP65 4.3 141.3 1.0
OG1 B:THR63 4.4 132.3 1.0
CB B:ASP59 4.4 126.1 1.0
N B:ASN61 4.5 129.2 1.0
CB B:ASP65 4.5 141.3 1.0
N B:THR63 4.5 132.3 1.0
N B:ILE64 4.6 137.7 1.0
CA B:ILE64 4.6 137.7 1.0
N B:ASP59 4.7 126.1 1.0
CA B:THR63 4.7 132.3 1.0
C B:ILE64 4.8 137.7 1.0
N B:GLY60 4.8 125.5 1.0
N B:GLY62 4.9 131.3 1.0
CA B:ASN61 4.9 129.2 1.0

Calcium binding site 3 out of 12 in 7tci

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Calcium binding site 3 out of 12 in the Structure of Xenopus KCNQ1-Cam in Complex with ML277


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Xenopus KCNQ1-Cam in Complex with ML277 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca903

b:110.7
occ:1.00
 CA B:VAL137 2.9 98.8 1.0
ND2 B:ASN138 3.1 96.0 1.0
O B:GLN136 3.1 104.7 1.0
N B:ASN138 3.1 96.0 1.0
O B:ALA129 3.5 108.8 1.0
CG B:ASN138 3.5 96.0 1.0
C B:VAL137 3.5 98.8 1.0
OD1 B:ASN138 3.6 96.0 1.0
CA B:ASP130 3.7 113.4 1.0
CB B:VAL137 3.7 98.8 1.0
OD1 B:ASP132 3.7 118.5 1.0
N B:VAL137 3.8 98.8 1.0
C B:GLN136 3.8 104.7 1.0
CG2 B:VAL137 4.0 98.8 1.0
C B:ALA129 4.2 108.8 1.0
OD1 B:ASP134 4.3 115.3 1.0
N B:ASP130 4.3 113.4 1.0
CA B:ASN138 4.3 96.0 1.0
CB B:ASP130 4.3 113.4 1.0
CB B:ASN138 4.5 96.0 1.0
OD2 B:ASP134 4.5 115.3 1.0
N B:ILE131 4.6 116.5 1.0
C B:ASP130 4.6 113.4 1.0
O B:VAL137 4.7 98.8 1.0
CG B:ASP132 4.8 118.5 1.0
CG B:ASP134 4.8 115.3 1.0

Calcium binding site 4 out of 12 in 7tci

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Calcium binding site 4 out of 12 in the Structure of Xenopus KCNQ1-Cam in Complex with ML277


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of Xenopus KCNQ1-Cam in Complex with ML277 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ca901

b:149.6
occ:1.00
 O F:THR27 2.6 144.7 1.0
OD2 F:ASP25 2.7 147.5 1.0
C F:THR27 3.1 144.7 1.0
CB F:THR27 3.2 144.7 1.0
CG2 F:THR27 3.6 144.7 1.0
CG F:ASP25 3.6 147.5 1.0
CA F:THR27 3.7 144.7 1.0
N F:ILE28 3.8 140.6 1.0
OD1 F:ASP25 4.1 147.5 1.0
C F:ILE28 4.1 140.6 1.0
CB F:THR29 4.1 138.0 1.0
N F:THR29 4.1 138.0 1.0
OE1 F:GLU32 4.1 141.8 1.0
CA F:ILE28 4.2 140.6 1.0
CG2 F:THR29 4.3 138.0 1.0
N F:THR27 4.3 144.7 1.0
OG1 F:THR27 4.4 144.7 1.0
O F:ILE28 4.5 140.6 1.0
CA F:THR29 4.6 138.0 1.0
OE2 F:GLU32 4.7 141.8 1.0
CD F:GLU32 4.8 141.8 1.0
CB F:ASP25 4.8 147.5 1.0

Calcium binding site 5 out of 12 in 7tci

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Calcium binding site 5 out of 12 in the Structure of Xenopus KCNQ1-Cam in Complex with ML277


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Structure of Xenopus KCNQ1-Cam in Complex with ML277 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ca902

b:134.9
occ:1.00
 OE2 F:GLU68 2.5 137.8 1.0
OD1 F:ASN61 2.5 129.2 1.0
ND2 F:ASN61 2.6 129.2 1.0
OD1 F:ASP59 2.6 126.1 1.0
OE1 F:GLU68 2.7 137.8 1.0
OD1 F:ASP57 2.8 130.4 1.0
CD F:GLU68 2.8 137.8 1.0
CG F:ASN61 2.8 129.2 1.0
O F:THR63 2.9 132.3 1.0
OD2 F:ASP59 2.9 126.1 1.0
CG F:ASP59 3.0 126.1 1.0
CG F:ASP57 3.8 130.4 1.0
C F:THR63 3.8 132.3 1.0
CG F:GLU68 4.1 137.8 1.0
OD2 F:ASP57 4.2 130.4 1.0
CB F:ASN61 4.2 129.2 1.0
N F:ASP65 4.4 141.3 1.0
OG1 F:THR63 4.4 132.3 1.0
CB F:ASP59 4.4 126.1 1.0
N F:ASN61 4.5 129.2 1.0
CB F:ASP65 4.5 141.3 1.0
N F:THR63 4.5 132.3 1.0
N F:ILE64 4.6 137.7 1.0
CA F:ILE64 4.6 137.7 1.0
N F:ASP59 4.7 126.1 1.0
CA F:THR63 4.7 132.3 1.0
C F:ILE64 4.8 137.7 1.0
N F:GLY60 4.8 125.5 1.0
N F:GLY62 4.9 131.3 1.0
CA F:ASN61 4.9 129.2 1.0

Calcium binding site 6 out of 12 in 7tci

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Calcium binding site 6 out of 12 in the Structure of Xenopus KCNQ1-Cam in Complex with ML277


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Structure of Xenopus KCNQ1-Cam in Complex with ML277 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ca903

b:110.7
occ:1.00
 CA F:VAL137 2.9 98.8 1.0
O F:GLN136 3.1 104.7 1.0
N F:ASN138 3.1 96.0 1.0
ND2 F:ASN138 3.2 96.0 1.0
O F:ALA129 3.4 108.8 1.0
CG F:ASN138 3.5 96.0 1.0
C F:VAL137 3.5 98.8 1.0
CA F:ASP130 3.7 113.4 1.0
OD1 F:ASN138 3.7 96.0 1.0
CB F:VAL137 3.7 98.8 1.0
OD1 F:ASP132 3.7 118.5 1.0
N F:VAL137 3.8 98.8 1.0
C F:GLN136 3.8 104.7 1.0
CG2 F:VAL137 3.9 98.8 1.0
C F:ALA129 4.1 108.8 1.0
N F:ASP130 4.3 113.4 1.0
OD1 F:ASP134 4.3 115.3 1.0
CB F:ASP130 4.3 113.4 1.0
CA F:ASN138 4.4 96.0 1.0
OD2 F:ASP134 4.5 115.3 1.0
CB F:ASN138 4.5 96.0 1.0
N F:ILE131 4.5 116.5 1.0
C F:ASP130 4.6 113.4 1.0
CG F:ASP132 4.8 118.5 1.0
O F:VAL137 4.8 98.8 1.0
CG F:ASP134 4.8 115.3 1.0
OD2 F:ASP132 5.0 118.5 1.0

Calcium binding site 7 out of 12 in 7tci

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Calcium binding site 7 out of 12 in the Structure of Xenopus KCNQ1-Cam in Complex with ML277


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Structure of Xenopus KCNQ1-Cam in Complex with ML277 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca901

b:149.6
occ:1.00
 O D:THR27 2.6 144.7 1.0
OD2 D:ASP25 2.7 147.5 1.0
C D:THR27 3.1 144.7 1.0
CB D:THR27 3.2 144.7 1.0
CG2 D:THR27 3.6 144.7 1.0
CG D:ASP25 3.6 147.5 1.0
CA D:THR27 3.7 144.7 1.0
N D:ILE28 3.8 140.6 1.0
C D:ILE28 4.1 140.6 1.0
OD1 D:ASP25 4.1 147.5 1.0
CB D:THR29 4.1 138.0 1.0
N D:THR29 4.1 138.0 1.0
OE1 D:GLU32 4.1 141.8 1.0
CA D:ILE28 4.2 140.6 1.0
CG2 D:THR29 4.3 138.0 1.0
N D:THR27 4.3 144.7 1.0
OG1 D:THR27 4.4 144.7 1.0
O D:ILE28 4.5 140.6 1.0
CA D:THR29 4.6 138.0 1.0
OE2 D:GLU32 4.7 141.8 1.0
CD D:GLU32 4.7 141.8 1.0
CB D:ASP25 4.8 147.5 1.0

Calcium binding site 8 out of 12 in 7tci

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Calcium binding site 8 out of 12 in the Structure of Xenopus KCNQ1-Cam in Complex with ML277


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Structure of Xenopus KCNQ1-Cam in Complex with ML277 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca902

b:134.9
occ:1.00
 OE2 D:GLU68 2.5 137.8 1.0
OD1 D:ASN61 2.5 129.2 1.0
ND2 D:ASN61 2.6 129.2 1.0
OD1 D:ASP59 2.6 126.1 1.0
OE1 D:GLU68 2.7 137.8 1.0
OD1 D:ASP57 2.8 130.4 1.0
CD D:GLU68 2.8 137.8 1.0
CG D:ASN61 2.8 129.2 1.0
O D:THR63 2.9 132.3 1.0
OD2 D:ASP59 2.9 126.1 1.0
CG D:ASP59 3.1 126.1 1.0
CG D:ASP57 3.8 130.4 1.0
C D:THR63 3.8 132.3 1.0
CG D:GLU68 4.1 137.8 1.0
OD2 D:ASP57 4.2 130.4 1.0
CB D:ASN61 4.2 129.2 1.0
N D:ASP65 4.3 141.3 1.0
OG1 D:THR63 4.4 132.3 1.0
CB D:ASP59 4.5 126.1 1.0
N D:ASN61 4.5 129.2 1.0
CB D:ASP65 4.5 141.3 1.0
N D:THR63 4.5 132.3 1.0
N D:ILE64 4.6 137.7 1.0
CA D:ILE64 4.6 137.7 1.0
N D:ASP59 4.7 126.1 1.0
CA D:THR63 4.7 132.3 1.0
C D:ILE64 4.8 137.7 1.0
N D:GLY60 4.8 125.5 1.0
N D:GLY62 4.9 131.3 1.0
CA D:ASN61 4.9 129.2 1.0

Calcium binding site 9 out of 12 in 7tci

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Calcium binding site 9 out of 12 in the Structure of Xenopus KCNQ1-Cam in Complex with ML277


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Structure of Xenopus KCNQ1-Cam in Complex with ML277 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca903

b:110.7
occ:1.00
 CA D:VAL137 2.9 98.8 1.0
O D:GLN136 3.1 104.7 1.0
N D:ASN138 3.1 96.0 1.0
ND2 D:ASN138 3.1 96.0 1.0
O D:ALA129 3.4 108.8 1.0
CG D:ASN138 3.5 96.0 1.0
C D:VAL137 3.5 98.8 1.0
OD1 D:ASN138 3.7 96.0 1.0
CA D:ASP130 3.7 113.4 1.0
CB D:VAL137 3.7 98.8 1.0
OD1 D:ASP132 3.7 118.5 1.0
N D:VAL137 3.8 98.8 1.0
C D:GLN136 3.8 104.7 1.0
CG2 D:VAL137 3.9 98.8 1.0
C D:ALA129 4.1 108.8 1.0
OD1 D:ASP134 4.3 115.3 1.0
N D:ASP130 4.3 113.4 1.0
CB D:ASP130 4.3 113.4 1.0
CA D:ASN138 4.4 96.0 1.0
CB D:ASN138 4.5 96.0 1.0
OD2 D:ASP134 4.5 115.3 1.0
N D:ILE131 4.5 116.5 1.0
C D:ASP130 4.6 113.4 1.0
CG D:ASP132 4.8 118.5 1.0
O D:VAL137 4.8 98.8 1.0
CG D:ASP134 4.8 115.3 1.0
OD2 D:ASP132 5.0 118.5 1.0

Calcium binding site 10 out of 12 in 7tci

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Calcium binding site 10 out of 12 in the Structure of Xenopus KCNQ1-Cam in Complex with ML277


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Structure of Xenopus KCNQ1-Cam in Complex with ML277 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca901

b:149.6
occ:1.00
 O H:THR27 2.6 144.7 1.0
OD2 H:ASP25 2.7 147.5 1.0
C H:THR27 3.1 144.7 1.0
CB H:THR27 3.2 144.7 1.0
CG2 H:THR27 3.6 144.7 1.0
CG H:ASP25 3.6 147.5 1.0
CA H:THR27 3.7 144.7 1.0
N H:ILE28 3.8 140.6 1.0
OD1 H:ASP25 4.1 147.5 1.0
C H:ILE28 4.1 140.6 1.0
CB H:THR29 4.1 138.0 1.0
N H:THR29 4.1 138.0 1.0
OE1 H:GLU32 4.1 141.8 1.0
CA H:ILE28 4.2 140.6 1.0
CG2 H:THR29 4.3 138.0 1.0
N H:THR27 4.3 144.7 1.0
OG1 H:THR27 4.4 144.7 1.0
O H:ILE28 4.5 140.6 1.0
CA H:THR29 4.6 138.0 1.0
OE2 H:GLU32 4.7 141.8 1.0
CD H:GLU32 4.8 141.8 1.0
CB H:ASP25 4.8 147.5 1.0

Reference:

K.Willegems, J.Eldstrom, E.Kyriakis, F.Ataei, H.Sahakyan, Y.Dou, S.Russo, F.Van Petegem, D.Fedida. Structural and Electrophysiological Basis For the Modulation of KCNQ1 Channel Currents By ML277. Nat Commun V. 13 3760 2022.
ISSN: ESSN 2041-1723
PubMed: 35768468
DOI: 10.1038/S41467-022-31526-7
Page generated: Fri Jul 19 04:28:58 2024

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