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Caesium in PDB 6fvr: The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+)

Protein crystallography data

The structure of The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+), PDB code: 6fvr was solved by H.Hu, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 4.20
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 221.169, 114.107, 144.274, 90.00, 111.75, 90.00
R / Rfree (%) 22.5 / 23.4

Caesium Binding Sites:

Pages:

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

Binding sites:

The binding sites of Caesium atom in the The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+) (pdb code 6fvr). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 11 binding sites of Caesium where determined in the The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+), PDB code: 6fvr:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Caesium binding site 1 out of 11 in 6fvr

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Caesium binding site 1 out of 11 in the The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs402

b:30.0
occ:0.50
 O A:PHE78 3.0 27.4 1.0
CE1 A:PHE78 3.7 26.3 1.0
ND2 E:ASN91 3.8 42.9 1.0
CD1 A:PHE78 4.0 27.2 1.0
C A:PHE78 4.1 28.7 1.0
CZ A:PHE78 4.2 26.9 1.0
O E:GLN90 4.2 40.5 1.0
CG E:ASN91 4.6 66.4 1.0
CG A:PHE78 4.6 28.9 1.0
OD1 E:ASN91 4.7 66.7 1.0
CE2 A:PHE78 4.7 28.5 1.0
CA A:THR79 4.7 26.1 1.0
CE2 A:TYR80 4.8 23.4 1.0
NH2 A:ARG92 4.8 31.3 1.0
N A:THR79 4.8 27.9 1.0
CD2 A:TYR80 4.9 23.1 1.0
CD2 A:PHE78 4.9 29.6 1.0

Caesium binding site 2 out of 11 in 6fvr

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Caesium binding site 2 out of 11 in the The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs402

b:30.0
occ:0.50
 O B:GLU27 3.3 8.7 1.0
O A:GLY158 3.6 17.6 1.0
O A:THR21 3.8 22.2 1.0
C B:GLU27 3.8 8.8 1.0
OE1 A:GLU159 3.9 73.2 1.0
CA B:GLU27 4.0 10.4 1.0
C A:THR21 4.2 20.0 1.0
O A:ILE20 4.3 17.0 1.0
OE1 B:GLU28 4.6 9.5 1.0
O B:LYS26 4.6 9.4 1.0
C A:GLY158 4.6 16.4 1.0
N A:GLY22 4.6 17.9 1.0
CA A:GLY22 4.7 17.5 1.0
CA A:GLU159 4.7 14.8 1.0
CD A:GLU159 4.8 54.6 1.0
CB B:GLU27 4.8 12.7 1.0
N B:GLU28 4.8 8.1 1.0
CA A:THR21 5.0 20.2 1.0
CB B:GLU28 5.0 8.0 1.0

Caesium binding site 3 out of 11 in 6fvr

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Caesium binding site 3 out of 11 in the The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs403

b:30.0
occ:0.50
 OE1 B:GLU159 3.1 16.1 1.0
O B:GLY158 3.4 30.2 1.0
O B:THR21 3.9 27.0 1.0
CD B:GLU159 4.0 15.1 1.0
O B:ILE20 4.1 21.8 1.0
O C:GLU27 4.1 15.2 1.0
CA B:GLU159 4.1 19.9 1.0
C B:THR21 4.2 23.8 1.0
CA B:GLY22 4.4 18.3 1.0
C B:GLY158 4.4 28.1 1.0
N B:GLY22 4.4 19.7 1.0
OE2 B:GLU159 4.5 13.9 1.0
N B:GLU160 4.6 21.2 1.0
C C:GLU27 4.6 13.9 1.0
OE1 C:GLU28 4.7 23.9 1.0
N B:GLU159 4.7 23.1 1.0
CA C:GLU27 4.8 15.6 1.0
CB B:GLU159 4.8 15.6 1.0
C B:GLU159 4.9 20.5 1.0
CG B:GLU159 5.0 13.5 1.0

Caesium binding site 4 out of 11 in 6fvr

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Caesium binding site 4 out of 11 in the The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs404

b:30.0
occ:0.50
 O B:PHE78 2.9 16.4 1.0
CE1 B:PHE78 3.0 15.6 1.0
CD1 B:PHE78 3.3 16.1 1.0
CZ B:PHE78 3.4 16.1 1.0
C B:PHE78 3.9 17.6 1.0
CG B:PHE78 3.9 17.3 1.0
CE2 B:PHE78 4.0 16.8 1.0
ND2 A:ASN91 4.1 34.2 1.0
CD2 B:PHE78 4.2 17.5 1.0
CE2 B:TYR80 4.6 14.1 1.0
N B:THR79 4.7 17.8 1.0
CA B:PHE78 4.7 19.4 1.0
CA B:THR79 4.7 16.3 1.0
N B:PHE78 4.7 19.4 1.0
OE2 B:GLU106 4.7 19.0 1.0
CD2 B:TYR80 4.8 13.5 1.0
OE1 B:GLU106 4.9 17.5 1.0
CB B:PHE78 4.9 19.1 1.0
O A:GLN90 4.9 39.4 1.0
NH2 B:ARG92 5.0 21.5 1.0
CG A:ASN91 5.0 32.1 1.0

Caesium binding site 5 out of 11 in 6fvr

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Caesium binding site 5 out of 11 in the The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cs402

b:30.0
occ:0.50
 O C:PHE78 3.0 30.0 1.0
ND2 B:ASN91 3.6 49.9 1.0
CE1 C:PHE78 3.9 25.1 1.0
O B:GLN90 4.0 49.6 1.0
C C:PHE78 4.1 29.4 1.0
CD1 C:PHE78 4.1 26.0 1.0
CZ C:PHE78 4.3 25.9 1.0
CG B:ASN91 4.3 48.8 1.0
OD1 B:ASN91 4.4 46.0 1.0
CA C:THR79 4.6 27.6 1.0
CG C:PHE78 4.7 27.7 1.0
N C:THR79 4.7 28.4 1.0
CD2 C:TYR80 4.8 21.6 1.0
CE2 C:TYR80 4.8 21.3 1.0
C B:GLN90 4.9 45.6 1.0
CE2 C:PHE78 4.9 27.5 1.0
NH2 C:ARG92 5.0 30.5 1.0

Caesium binding site 6 out of 11 in 6fvr

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Caesium binding site 6 out of 11 in the The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 6 of The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cs403

b:30.0
occ:0.50
 O C:GLY158 3.2 6.7 1.0
O D:GLU27 3.5 18.8 1.0
O C:THR21 3.8 11.5 1.0
OE1 C:GLU159 3.8 7.1 1.0
O C:ILE20 3.9 7.3 1.0
C C:THR21 4.1 9.7 1.0
C D:GLU27 4.1 18.2 1.0
C C:GLY158 4.2 6.7 1.0
CA C:GLU159 4.4 6.7 1.0
OE1 D:GLU28 4.4 36.5 1.0
CA D:GLU27 4.5 19.1 1.0
N C:GLY22 4.5 8.5 1.0
CD C:GLU159 4.7 6.8 1.0
CA C:GLY22 4.7 8.4 1.0
N C:GLU159 4.7 7.0 1.0
CA C:THR21 4.8 9.6 1.0
C C:ILE20 5.0 7.7 1.0
N C:GLU160 5.0 6.2 1.0
CB D:GLU28 5.0 16.8 1.0

Caesium binding site 7 out of 11 in 6fvr

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Caesium binding site 7 out of 11 in the The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 7 of The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cs402

b:30.0
occ:0.50
 O D:PHE78 3.7 32.7 1.0
CE1 D:PHE78 3.8 32.5 1.0
CZ D:PHE78 4.1 33.8 1.0
NH2 D:ARG92 4.2 35.5 1.0
O C:GLN90 4.2 24.4 1.0
CD1 D:PHE78 4.3 32.5 1.0
ND2 C:ASN91 4.4 24.9 1.0
OE2 D:GLU106 4.4 36.9 1.0
CE2 D:TYR80 4.5 28.6 1.0
CD2 D:TYR80 4.7 28.0 1.0
OE1 D:GLU106 4.7 31.6 1.0
C D:PHE78 4.8 32.6 1.0
CE2 D:PHE78 4.8 36.2 1.0
CG D:PHE78 5.0 33.8 1.0

Caesium binding site 8 out of 11 in 6fvr

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Caesium binding site 8 out of 11 in the The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 8 of The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cs403

b:30.0
occ:0.50
 O D:GLY158 3.3 16.7 1.0
OE1 D:GLU159 3.4 76.6 1.0
O D:THR21 3.8 21.1 1.0
O E:GLU27 3.9 27.9 1.0
O D:ILE20 3.9 19.3 1.0
C D:THR21 4.1 20.2 1.0
CA D:GLU159 4.2 18.6 1.0
CD D:GLU159 4.2 78.4 1.0
C D:GLY158 4.3 17.6 1.0
N D:GLY22 4.4 19.0 1.0
CA D:GLY22 4.4 18.4 1.0
C E:GLU27 4.5 26.7 1.0
OE1 E:GLU28 4.6 94.5 1.0
N D:GLU159 4.7 18.3 1.0
CA E:GLU27 4.7 26.5 1.0
N D:GLU160 4.8 16.8 1.0
OE2 D:GLU159 4.8 78.9 1.0
CA D:THR21 4.8 20.7 1.0
CB D:GLU159 4.9 19.3 1.0
C D:ILE20 5.0 19.6 1.0

Caesium binding site 9 out of 11 in 6fvr

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Caesium binding site 9 out of 11 in the The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 9 of The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cs402

b:30.0
occ:0.50
 OE1 E:GLU159 3.4 25.3 1.0
O E:GLY158 3.6 30.1 1.0
O E:THR21 3.8 24.8 1.0
O A:GLU27 3.8 16.6 1.0
C E:THR21 4.2 24.3 1.0
O E:ILE20 4.3 22.7 1.0
CD E:GLU159 4.3 53.5 1.0
C A:GLU27 4.3 15.9 1.0
CA E:GLY22 4.4 22.8 1.0
CA A:GLU27 4.4 18.0 1.0
CA E:GLU159 4.4 26.9 1.0
N E:GLY22 4.5 23.4 1.0
C E:GLY158 4.6 30.1 1.0
O A:LYS26 4.7 16.5 1.0
OE1 A:GLU28 4.7 69.5 1.0
OE2 E:GLU159 4.8 30.8 1.0
N E:GLU160 4.9 29.7 1.0
N E:GLU159 5.0 28.2 1.0

Caesium binding site 10 out of 11 in 6fvr

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Caesium binding site 10 out of 11 in the The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 10 of The Active Form of A Pentameric Ion Channel (Stelic) Gated By Alkaline pH - Stelic in Complex with Cesium Ions (Cs+) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cs403

b:30.0
occ:0.50
 O E:PHE78 3.4 66.2 1.0
CE1 E:PHE78 3.5 66.6 1.0
CZ E:PHE78 3.8 65.2 1.0
CD1 E:PHE78 3.9 67.6 1.0
ND2 D:ASN91 4.3 36.1 1.0
C E:PHE78 4.4 67.3 1.0
NH2 E:ARG92 4.4 30.6 1.0
CE2 E:PHE78 4.5 68.8 1.0
OE2 E:GLU106 4.5 77.9 1.0
O D:GLN90 4.5 38.8 1.0
CG E:PHE78 4.6 66.1 1.0
CE2 E:TYR80 4.6 52.1 1.0
CD2 E:PHE78 4.8 67.8 1.0
CD2 E:TYR80 4.8 51.7 1.0
OE1 E:GLU106 4.8 55.9 1.0

Reference:

H.Hu, A.Nemecz, C.Van Renterghem, Z.Fourati, L.Sauguet, P.J.Corringer, M.Delarue. Crystal Structures of A Pentameric Ion Channel Gated By Alkaline pH Show A Widely Open Pore and Identify A Cavity For Modulation. Proc. Natl. Acad. Sci. V. 115 E3959 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29632192
DOI: 10.1073/PNAS.1717700115
Page generated: Sun Dec 13 10:57:09 2020

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