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Potassium in PDB 8ctt: Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K

Protein crystallography data

The structure of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K, PDB code: 8ctt was solved by B.Lee, K.I.White, M.A.Socolich, M.A.Klureza, R.Henning, V.Srajer, R.Ranganathan, D.Hekstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.88 / 2.05
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 67.765, 67.765, 88.385, 90, 90, 90
R / Rfree (%) 16.2 / 18.9

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K (pdb code 8ctt). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 9 binding sites of Potassium where determined in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K, PDB code: 8ctt:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Potassium binding site 1 out of 9 in 8ctt

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Potassium binding site 1 out of 9 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K205

b:10.4
occ:0.25
 O A:TYR66 2.8 12.2 1.0
O A:GLY65 3.0 10.0 1.0
C A:TYR66 3.4 11.4 1.0
K A:K206 3.4 9.6 0.2
HA A:TYR66 3.6 11.9 1.0
HA3 A:GLY67 4.0 12.8 1.0
CA A:TYR66 4.0 10.7 1.0
C A:GLY65 4.1 9.7 1.0
N A:GLY67 4.3 11.1 1.0
N A:TYR66 4.6 9.9 1.0
O A:HOH316 4.6 22.8 1.0
CA A:GLY67 4.6 11.5 1.0
H A:GLY67 4.9 10.1 1.0

Potassium binding site 2 out of 9 in 8ctt

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Potassium binding site 2 out of 9 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K206

b:9.6
occ:0.25
 O A:VAL64 2.8 9.2 1.0
O A:GLY65 2.8 10.0 1.0
K A:K207 3.2 10.9 0.2
K A:K205 3.4 10.4 0.2
HA3 A:GLY65 3.5 10.7 1.0
C A:GLY65 3.5 9.7 1.0
C A:VAL64 3.9 9.0 1.0
CA A:GLY65 3.9 9.3 1.0
HA A:TYR66 4.3 11.9 1.0
N A:GLY65 4.4 9.1 1.0
N A:TYR66 4.5 9.9 1.0
HA2 A:GLY65 4.8 10.7 1.0
CA A:TYR66 4.8 10.7 1.0

Potassium binding site 3 out of 9 in 8ctt

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Potassium binding site 3 out of 9 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K207

b:10.9
occ:0.25
 O A:THR63 2.7 9.8 1.0
O A:VAL64 2.9 9.2 1.0
K A:K206 3.2 9.6 0.2
K A:K208 3.4 11.7 0.2
C A:VAL64 3.6 9.0 1.0
HA A:VAL64 3.6 10.7 1.0
C A:THR63 3.8 9.7 1.0
CA A:VAL64 4.0 9.2 1.0
HA3 A:GLY65 4.3 10.7 1.0
N A:VAL64 4.4 9.6 1.0
HB A:THR63 4.5 13.5 1.0
N A:GLY65 4.6 9.1 1.0
CA A:GLY65 4.9 9.3 1.0
CA A:THR63 5.0 10.2 1.0

Potassium binding site 4 out of 9 in 8ctt

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Potassium binding site 4 out of 9 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K208

b:11.7
occ:0.25
 OG1 A:THR63 2.8 11.6 1.0
O A:THR63 3.0 9.8 1.0
HB A:THR63 3.1 13.5 1.0
K A:K207 3.4 10.9 0.2
CB A:THR63 3.5 10.9 1.0
C A:THR63 3.9 9.7 1.0
CA A:THR63 4.3 10.2 1.0
HG23 A:THR63 4.6 16.2 1.0
HA A:VAL64 4.6 10.7 1.0
CG2 A:THR63 4.7 11.6 1.0
HA A:THR63 4.9 10.3 1.0
N A:VAL64 4.9 9.6 1.0

Potassium binding site 5 out of 9 in 8ctt

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Potassium binding site 5 out of 9 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K209

b:75.2
occ:1.00
 O A:HOH316 2.6 22.8 1.0
O A:HOH327 2.7 34.0 1.0
O A:HOH315 2.7 33.5 1.0
O A:HOH328 2.8 33.9 0.2
O A:HOH322 3.1 33.9 1.0
O A:GLY67 3.2 12.8 1.0
HA A:ASP68 3.7 17.8 0.5
HA A:ASP68 3.7 17.8 0.5
C A:GLY67 4.0 12.4 1.0
O A:HOH306 4.0 33.9 1.0
CA A:ASP68 4.5 13.4 0.5
CA A:ASP68 4.5 13.4 0.5
HA3 A:GLY67 4.5 12.8 1.0
N A:ASP68 4.5 12.5 0.5
N A:ASP68 4.5 12.5 0.5
O A:HOH324 4.8 33.9 1.0
O A:HOH329 4.9 34.0 1.0
CA A:GLY67 4.9 11.5 1.0

Potassium binding site 6 out of 9 in 8ctt

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Potassium binding site 6 out of 9 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K208

b:18.6
occ:0.23
 O B:TYR66 2.8 18.9 1.0
O B:GLY65 2.9 16.5 1.0
K B:K209 3.3 15.3 0.2
C B:TYR66 3.4 18.0 1.0
HA B:TYR66 3.6 25.4 1.0
CA B:TYR66 4.0 17.4 1.0
C B:GLY65 4.0 16.5 1.0
HA3 B:GLY67 4.0 26.5 1.0
N B:GLY67 4.3 18.5 1.0
N B:TYR66 4.5 16.7 1.0
O B:HOH315 4.6 33.5 1.0
CA B:GLY67 4.7 20.1 1.0
H B:GLY67 4.9 24.3 1.0

Potassium binding site 7 out of 9 in 8ctt

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Potassium binding site 7 out of 9 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K209

b:15.3
occ:0.25
 O B:GLY65 2.7 16.5 1.0
O B:VAL64 2.8 14.7 1.0
K B:K210 3.2 13.7 0.2
K B:K208 3.3 18.6 0.2
C B:GLY65 3.4 16.5 1.0
HA3 B:GLY65 3.4 18.5 1.0
CA B:GLY65 3.9 16.3 1.0
C B:VAL64 3.9 15.0 1.0
HA B:TYR66 4.3 25.4 1.0
N B:TYR66 4.3 16.7 1.0
N B:GLY65 4.3 15.7 1.0
CA B:TYR66 4.7 17.4 1.0
HA2 B:GLY65 4.7 18.5 1.0
H B:TYR66 5.0 17.0 1.0

Potassium binding site 8 out of 9 in 8ctt

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Potassium binding site 8 out of 9 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K210

b:13.7
occ:0.25
 O B:THR63 2.6 14.2 1.0
O B:VAL64 2.8 14.7 1.0
K B:K209 3.2 15.3 0.2
K B:K211 3.3 14.2 0.2
C B:VAL64 3.5 15.0 1.0
HA B:VAL64 3.6 14.4 1.0
C B:THR63 3.8 14.5 1.0
CA B:VAL64 4.0 14.8 1.0
HA3 B:GLY65 4.2 18.5 1.0
N B:VAL64 4.4 14.8 1.0
HB B:THR63 4.4 17.9 1.0
N B:GLY65 4.5 15.7 1.0
CA B:GLY65 4.8 16.3 1.0
CA B:THR63 4.9 14.4 1.0

Potassium binding site 9 out of 9 in 8ctt

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Potassium binding site 9 out of 9 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 9 of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K211

b:14.2
occ:0.25
 O B:THR63 2.9 14.2 1.0
OG1 B:THR63 2.9 12.6 1.0
HB B:THR63 3.0 17.9 1.0
K B:K210 3.3 13.7 0.2
CB B:THR63 3.5 13.8 1.0
C B:THR63 3.8 14.5 1.0
CA B:THR63 4.3 14.4 1.0
HA B:VAL64 4.6 14.4 1.0
HG21 B:THR63 4.6 18.8 1.0
CG2 B:THR63 4.7 13.2 1.0
HA B:THR63 4.8 15.9 1.0
N B:VAL64 4.8 14.8 1.0

Reference:

B.Lee, K.I.White, M.A.Socolich, M.A.Klureza, R.Henning, V.Srajer, R.Ranganathan, D.Hekstra. Direct Visualization of Electric Field-Stimulated Ion Conduction in A Potassium Channel To Be Published.
Page generated: Mon Aug 12 23:04:23 2024

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