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Potassium in PDB 4le2: Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State

Protein crystallography data

The structure of Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State, PDB code: 4le2 was solved by F.Trajtenberg, N.Larrieux, A.Buschiazzo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.81 / 2.54
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 43.350, 63.850, 121.610, 90.00, 97.84, 90.00
R / Rfree (%) 18.4 / 22

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State (pdb code 4le2). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 8 binding sites of Potassium where determined in the Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State, PDB code: 4le2:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Potassium binding site 1 out of 8 in 4le2

Go back to Potassium Binding Sites List in 4le2
Potassium binding site 1 out of 8 in the Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State


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 the Unphosphorylated Receiver Domain of Desr in the Active State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K202

b:38.9
occ:1.00
O A:MET27 2.6 37.1 1.0
O A:GLU24 2.6 42.4 1.0
O A:ASN22 2.6 41.5 1.0
C A:ASN22 3.7 39.9 1.0
C A:GLU24 3.8 45.2 1.0
C A:MET27 3.8 36.6 1.0
CA A:ASN22 4.2 31.6 1.0
N A:MET27 4.5 36.5 1.0
N A:GLU24 4.5 40.7 1.0
O A:ASP25 4.5 49.0 1.0
CA A:ASP25 4.5 48.2 1.0
C A:ASP25 4.6 48.3 1.0
N A:ASP25 4.6 46.1 1.0
CE A:MET1 4.6 57.5 1.0
C A:LEU23 4.7 47.1 1.0
CA A:MET27 4.7 33.6 1.0
N A:LEU23 4.7 38.6 1.0
OD1 A:ASN22 4.7 37.3 1.0
N A:GLU28 4.8 32.4 1.0
CA A:GLU24 4.8 40.1 1.0
O A:LEU21 4.8 29.3 1.0
CA A:GLU28 4.8 31.6 1.0
SD A:MET1 4.9 61.5 1.0
CB A:ASN22 5.0 33.5 1.0

Potassium binding site 2 out of 8 in 4le2

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Potassium binding site 2 out of 8 in the Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State


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 the Unphosphorylated Receiver Domain of Desr in the Active State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K203

b:56.2
occ:1.00
OE1 A:GLU56 2.8 67.0 1.0
OG1 A:THR81 3.0 32.6 1.0
OD1 A:ASP54 3.3 34.2 1.0
CG A:GLU56 3.3 49.4 1.0
CD A:GLU56 3.3 76.5 1.0
N A:THR81 3.5 19.6 1.0
NZ A:LYS102 3.6 32.0 1.0
CB A:THR81 3.6 21.2 1.0
NH1 A:ARG84 3.7 14.6 1.0
O A:HOH342 3.7 13.8 1.0
OD2 A:ASP54 3.8 43.5 1.0
CG A:ASP54 3.9 33.7 1.0
NH2 A:ARG84 4.2 20.1 1.0
CA A:THR81 4.2 19.4 1.0
CE A:LYS102 4.3 26.1 1.0
OE2 A:GLU56 4.3 75.4 1.0
CZ A:ARG84 4.4 25.1 1.0
C A:THR80 4.4 21.0 1.0
CA A:THR80 4.5 15.5 1.0
O A:HOH335 4.5 41.9 1.0
CB A:GLU56 4.8 33.6 1.0
CG2 A:ILE55 4.8 26.9 1.0
CD A:LYS102 4.8 25.3 1.0
CG2 A:THR81 4.9 15.7 1.0
OG1 A:THR80 4.9 28.9 1.0

Potassium binding site 3 out of 8 in 4le2

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Potassium binding site 3 out of 8 in the Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State


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 the Unphosphorylated Receiver Domain of Desr in the Active State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K202

b:44.6
occ:1.00
O B:ASN22 2.6 36.8 1.0
O B:MET27 2.6 33.7 1.0
O B:GLU24 2.8 39.0 1.0
C B:ASN22 3.6 36.4 1.0
C B:MET27 3.8 32.9 1.0
C B:GLU24 3.9 40.0 1.0
CA B:ASN22 4.1 32.0 1.0
OD1 B:ASN22 4.5 40.1 1.0
N B:MET27 4.6 32.4 1.0
N B:GLU24 4.6 35.8 1.0
O B:ASP25 4.6 46.4 1.0
CA B:ASP25 4.7 41.5 1.0
C B:ASP25 4.7 44.5 1.0
N B:ASP25 4.7 39.6 1.0
N B:LEU23 4.7 33.9 1.0
N B:GLU28 4.7 27.8 1.0
CA B:MET27 4.7 29.8 1.0
CA B:GLU28 4.7 27.7 1.0
C B:LEU23 4.8 42.1 1.0
O B:LEU21 4.8 33.0 1.0
CE B:MET1 4.8 54.2 1.0
CB B:ASN22 4.8 34.3 1.0
CA B:GLU24 4.9 34.6 1.0

Potassium binding site 4 out of 8 in 4le2

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Potassium binding site 4 out of 8 in the Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State


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 the Unphosphorylated Receiver Domain of Desr in the Active State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K203

b:64.0
occ:1.00
OG1 B:THR81 2.8 66.6 1.0
OD1 B:ASP54 3.3 63.3 1.0
CB B:THR81 3.3 68.6 1.0
N B:THR81 3.4 54.9 1.0
O B:HOH333 3.8 54.5 1.0
NZ B:LYS102 3.8 58.7 1.0
OD2 B:ASP54 3.9 64.6 1.0
CA B:THR81 4.0 57.6 1.0
CG B:ASP54 4.0 58.7 1.0
C B:THR80 4.4 52.1 1.0
CE B:LYS102 4.4 46.4 1.0
CA B:THR80 4.5 45.5 1.0
CB B:GLU56 4.6 54.6 1.0
CG2 B:THR81 4.6 70.9 1.0
OG1 B:THR80 4.8 62.5 1.0
CD B:LYS102 4.9 40.9 1.0
CG2 B:ILE55 4.9 49.8 1.0

Potassium binding site 5 out of 8 in 4le2

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Potassium binding site 5 out of 8 in the Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State


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 the Unphosphorylated Receiver Domain of Desr in the Active State within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K202

b:50.1
occ:1.00
O C:MET27 2.6 33.4 1.0
O C:GLU24 2.7 48.5 1.0
O C:ASN22 2.9 55.2 1.0
O C:HOH329 3.1 39.0 1.0
O C:HOH331 3.3 42.2 1.0
C C:MET27 3.8 32.1 1.0
C C:GLU24 3.8 49.0 1.0
C C:ASN22 3.9 53.3 1.0
SD C:MET1 3.9 54.6 1.0
O C:ASP25 4.3 46.4 1.0
C C:ASP25 4.4 45.6 1.0
CA C:ASP25 4.4 46.4 1.0
CA C:ASN22 4.4 47.5 1.0
N C:MET27 4.5 31.0 1.0
N C:ASP25 4.6 45.4 1.0
N C:GLU24 4.7 47.7 1.0
CA C:GLU28 4.7 28.8 1.0
N C:GLU28 4.7 28.0 1.0
CA C:MET27 4.7 28.9 1.0
OD1 C:ASN22 4.8 62.4 1.0
C C:LEU23 4.9 55.5 1.0
CA C:GLU24 4.9 45.6 1.0
N C:LEU23 5.0 50.3 1.0
O C:LEU21 5.0 43.6 1.0
CB C:GLU28 5.0 31.9 1.0

Potassium binding site 6 out of 8 in 4le2

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Potassium binding site 6 out of 8 in the Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State


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 the Unphosphorylated Receiver Domain of Desr in the Active State within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K203

b:58.3
occ:1.00
OD1 C:ASP49 3.0 30.4 1.0
NZ A:LYS45 3.3 31.8 1.0
OD2 C:ASP49 3.5 35.1 1.0
CG C:ASP49 3.5 28.4 1.0
O C:HOH322 3.7 46.8 1.0
OG C:SER3 3.8 29.0 1.0
CD2 A:PHE42 4.0 21.4 1.0
CE2 A:PHE42 4.0 25.2 1.0
CE A:LYS45 4.2 28.8 1.0
NH2 A:ARG46 4.5 28.6 1.0
O C:GLN47 4.5 34.3 1.0
CB C:SER3 4.7 27.8 1.0
N C:ASP49 4.8 25.7 1.0
CA C:SER-2 4.8 45.9 1.0
CB C:ASP49 4.8 25.6 1.0
N C:SER-2 4.9 43.7 1.0

Potassium binding site 7 out of 8 in 4le2

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Potassium binding site 7 out of 8 in the Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State


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 the Unphosphorylated Receiver Domain of Desr in the Active State within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K204

b:64.5
occ:1.00
OE2 C:GLU56 3.0 52.4 1.0
OG1 C:THR81 3.0 26.5 1.0
O C:HOH306 3.2 49.9 1.0
CG C:GLU56 3.2 46.4 1.0
OD1 C:ASP54 3.3 39.4 1.0
CD C:GLU56 3.4 62.7 1.0
NH1 C:ARG84 3.5 16.9 1.0
N C:THR81 3.6 21.7 1.0
CB C:THR81 3.6 23.0 1.0
NZ C:LYS102 3.7 38.0 1.0
O C:HOH304 3.8 56.9 1.0
OD2 C:ASP54 3.8 44.4 1.0
CG C:ASP54 4.0 38.5 1.0
NH2 C:ARG84 4.1 23.5 1.0
CA C:THR81 4.2 21.6 1.0
CZ C:ARG84 4.3 32.8 1.0
CE C:LYS102 4.4 26.1 1.0
CG2 C:ILE55 4.4 30.6 1.0
O C:HOH308 4.4 57.7 1.0
OE1 C:GLU56 4.5 62.1 1.0
CA C:THR80 4.5 20.0 1.0
C C:THR80 4.5 24.6 1.0
CB C:GLU56 4.7 37.6 1.0
OG1 C:THR80 4.8 18.1 1.0
CD C:LYS102 5.0 24.1 1.0
CG2 C:THR81 5.0 17.3 1.0

Potassium binding site 8 out of 8 in 4le2

Go back to Potassium Binding Sites List in 4le2
Potassium binding site 8 out of 8 in the Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State


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 the Unphosphorylated Receiver Domain of Desr in the Active State within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K201

b:46.6
occ:1.00
O D:GLU24 2.5 38.8 1.0
O D:ASN22 2.6 39.4 1.0
O D:MET27 2.6 35.2 1.0
C D:ASN22 3.6 38.3 1.0
C D:GLU24 3.7 39.5 1.0
C D:MET27 3.8 34.1 1.0
CA D:ASN22 4.1 32.9 1.0
N D:GLU24 4.4 35.3 1.0
N D:MET27 4.4 31.1 1.0
CA D:ASP25 4.5 40.5 1.0
O D:ASP25 4.5 44.7 1.0
N D:ASP25 4.5 38.3 1.0
C D:ASP25 4.5 43.1 1.0
OD1 D:ASN22 4.6 35.8 1.0
C D:LEU23 4.6 40.8 1.0
CA D:MET27 4.6 29.8 1.0
N D:LEU23 4.6 35.6 1.0
CA D:GLU24 4.7 34.6 1.0
O D:LEU21 4.7 35.9 1.0
N D:GLU28 4.8 28.9 1.0
CE D:MET1 4.8 51.7 1.0
CB D:ASN22 4.8 33.6 1.0
CA D:GLU28 4.9 28.8 1.0
SD D:MET1 4.9 54.8 1.0
CA D:LEU23 5.0 36.6 1.0

Reference:

F.Trajtenberg, A.Albanesi, N.Ruetalo, H.Botti, A.Mechaly, L.Cybulski, N.Larrieux, D.De Mendoza, A.Buschiazzo. A Non-Canonical Protein Surface Is Key in Allosteric Control of Response Regulators To Be Published.
Page generated: Mon Aug 12 11:21:19 2024

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