Potassium in PDB 7rfm: Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor EPZ004777

Enzymatic activity of Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor EPZ004777

All present enzymatic activity of Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor EPZ004777:
2.1.1.72;

Protein crystallography data

The structure of Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor EPZ004777, PDB code: 7rfm was solved by J.R.Horton, X.Cheng, J.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.89 / 2.68
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.701, 161.167, 230.608, 90, 90, 90
R / Rfree (%) 18.2 / 22.9

Potassium Binding Sites:

The binding sites of Potassium atom in the Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor EPZ004777 (pdb code 7rfm). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 5 binding sites of Potassium where determined in the Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor EPZ004777, PDB code: 7rfm:
Jump to Potassium binding site number: 1; 2; 3; 4; 5;

Potassium binding site 1 out of 5 in 7rfm

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Potassium binding site 1 out of 5 in the Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor EPZ004777


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor EPZ004777 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K702

b:58.0
occ:1.00
 O A:TYR91 2.6 76.3 1.0
O A:LYS89 2.9 71.9 1.0
O2 A:EDO705 3.0 79.9 1.0
CG A:GLU93 3.0 82.3 1.0
O A:LYS88 3.1 78.3 1.0
O1 A:EDO705 3.2 61.1 1.0
CD A:GLU93 3.2 85.2 1.0
C2 A:EDO705 3.3 69.6 1.0
OE1 A:GLU93 3.4 80.1 1.0
O A:HOH893 3.4 66.1 1.0
C A:LYS89 3.4 68.5 1.0
C1 A:EDO705 3.6 63.9 1.0
C A:TYR91 3.8 72.1 1.0
CA A:LYS89 3.8 68.7 1.0
OE2 A:GLU93 3.8 84.3 1.0
C A:LYS88 4.1 64.1 1.0
N A:GLU93 4.1 65.8 1.0
N A:TYR91 4.2 67.5 1.0
CB A:GLU93 4.3 67.6 1.0
N A:LYS89 4.4 64.8 1.0
N A:LYS90 4.4 66.3 1.0
C A:LYS90 4.5 69.6 1.0
CA A:GLU93 4.5 62.4 1.0
CA A:TYR91 4.5 62.0 1.0
C A:ASP92 4.7 57.7 1.0
N A:ASP92 4.7 77.8 1.0
CA A:ASP92 4.9 70.0 1.0
CA A:LYS90 4.9 65.3 1.0
O A:LYS90 4.9 79.9 1.0

Potassium binding site 2 out of 5 in 7rfm

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Potassium binding site 2 out of 5 in the Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor EPZ004777


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor EPZ004777 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K703

b:76.4
occ:1.00
 OD1 A:ASN251 3.2 81.0 1.0
O A:VAL258 3.3 64.2 1.0
O A:GLY249 3.3 66.4 1.0
O A:ALA250 3.3 59.2 1.0
OG A:SER259 3.3 47.8 1.0
O A:HOH856 3.5 58.2 1.0
C A:GLY249 3.8 55.4 1.0
C A:VAL258 3.8 57.1 1.0
C A:ALA250 3.9 59.4 1.0
CA A:GLY249 4.2 46.0 1.0
CA A:SER259 4.2 41.5 1.0
N A:SER259 4.2 46.3 1.0
CG A:ASN251 4.3 93.2 1.0
CA A:ASN251 4.3 73.6 1.0
CB A:SER259 4.3 41.5 1.0
N A:ASN251 4.4 64.5 1.0
O A:HOH805 4.4 45.0 1.0
N A:VAL258 4.4 66.6 1.0
CA A:SER514 4.5 51.6 1.0
N A:ALA250 4.5 58.7 1.0
N A:LYS515 4.6 49.2 1.0
CB A:SER514 4.6 53.3 1.0
CA A:VAL258 4.7 62.8 1.0
CA A:ALA250 4.8 61.2 1.0
CB A:ASN251 4.9 82.0 1.0

Potassium binding site 3 out of 5 in 7rfm

Go back to Potassium Binding Sites List in 7rfm
Potassium binding site 3 out of 5 in the Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor EPZ004777


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor EPZ004777 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K602

b:66.0
occ:1.00
 OD1 B:ASN251 2.9 68.8 1.0
OG B:SER259 2.9 43.0 1.0
O B:GLY249 2.9 57.0 1.0
O B:VAL258 3.0 54.2 1.0
O B:ALA250 3.2 51.9 1.0
O B:HOH764 3.4 48.3 1.0
C B:GLY249 3.5 52.6 1.0
C B:ALA250 3.7 52.3 1.0
C B:VAL258 3.8 46.4 1.0
CA B:SER259 3.9 43.1 1.0
CB B:SER259 4.0 36.5 1.0
CG B:ASN251 4.0 68.8 1.0
CA B:GLY249 4.1 49.0 1.0
N B:SER259 4.1 47.4 1.0
CA B:ASN251 4.2 57.4 1.0
N B:ASN251 4.2 57.6 1.0
N B:ALA250 4.3 55.6 1.0
CA B:SER514 4.3 42.8 1.0
N B:LYS515 4.4 48.9 1.0
CB B:SER514 4.5 56.6 1.0
O B:HOH756 4.5 60.2 1.0
O B:HOH712 4.5 57.8 1.0
CA B:ALA250 4.5 48.3 1.0
O B:HOH718 4.7 49.0 1.0
CB B:ASN251 4.7 61.0 1.0
N B:VAL258 4.8 37.3 1.0
C B:SER514 4.8 44.4 1.0
CA B:VAL258 4.9 42.6 1.0
O B:MET513 4.9 51.7 1.0
ND2 B:ASN251 5.0 62.9 1.0

Potassium binding site 4 out of 5 in 7rfm

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Potassium binding site 4 out of 5 in the Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor EPZ004777


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor EPZ004777 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K603

b:72.9
occ:1.00
 O B:TYR91 2.6 84.7 1.0
OE2 B:GLU93 2.9 100.0 1.0
O B:LYS89 3.0 60.5 1.0
O B:LYS88 3.2 57.4 1.0
CG B:GLU93 3.2 105.8 1.0
CD B:GLU93 3.4 106.8 1.0
C B:LYS89 3.6 57.1 1.0
C B:TYR91 3.7 57.8 1.0
CA B:LYS89 4.0 57.0 1.0
N B:TYR91 4.2 66.5 1.0
N B:GLU93 4.2 80.0 1.0
C B:LYS88 4.2 61.5 1.0
C B:LYS90 4.5 62.2 1.0
N B:LYS90 4.5 66.3 1.0
CB B:GLU93 4.5 76.8 1.0
CA B:TYR91 4.5 56.3 1.0
OE1 B:GLU93 4.5 97.0 1.0
N B:LYS89 4.6 55.5 1.0
N B:ASP92 4.7 61.1 1.0
CA B:GLU93 4.7 69.5 1.0
C B:ASP92 4.8 75.6 1.0
CA B:ASP92 4.8 76.7 1.0
O B:LYS90 4.9 57.5 1.0
CA B:LYS90 4.9 58.2 1.0

Potassium binding site 5 out of 5 in 7rfm

Go back to Potassium Binding Sites List in 7rfm
Potassium binding site 5 out of 5 in the Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor EPZ004777


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor EPZ004777 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K602

b:79.2
occ:1.00
 OD1 C:ASN251 2.9 99.3 1.0
O C:ALA250 3.0 81.1 1.0
O C:VAL258 3.1 66.5 1.0
OG C:SER259 3.1 55.5 1.0
O C:GLY249 3.3 68.5 1.0
C C:ALA250 3.5 75.7 1.0
C C:GLY249 3.6 62.3 1.0
C C:VAL258 3.7 64.0 1.0
CG C:ASN251 3.9 94.8 1.0
N C:ASN251 4.0 81.1 1.0
CA C:ASN251 4.0 81.4 1.0
CA C:SER259 4.0 61.8 1.0
CA C:GLY249 4.1 65.8 1.0
N C:SER259 4.1 56.5 1.0
CB C:SER259 4.1 61.3 1.0
N C:ALA250 4.2 68.4 1.0
CA C:ALA250 4.4 72.8 1.0
CA C:SER514 4.5 53.1 1.0
CB C:ASN251 4.5 84.5 1.0
N C:VAL258 4.5 63.5 1.0
CB C:SER514 4.6 56.6 1.0
N C:LYS515 4.7 62.5 1.0
CA C:VAL258 4.7 67.5 1.0
ND2 C:ASN251 4.8 86.3 1.0

Reference:

J.Zhou, J.R.Horton, D.Yu, R.M.Blumenthal, X.Zhang, X.Cheng. Repurposing Epigenetic Inhibitors to Target the Clostridioides Difficile-Specific Dna Adenine Methyltransferase and Sporulation Regulator Cama To Be Published.
Page generated: Fri Sep 24 14:43:17 2021

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