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Potassium in PDB 7rfl: Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor SGC0946

Enzymatic activity of Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor SGC0946

All present enzymatic activity of Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor SGC0946:
2.1.1.72;

Protein crystallography data

The structure of Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor SGC0946, PDB code: 7rfl 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) 41.87 / 2.38
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.442, 161.741, 229.853, 90, 90, 90
R / Rfree (%) 20.4 / 23.4

Other elements in 7rfl:

The structure of Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor SGC0946 also contains other interesting chemical elements:

Bromine (Br) 3 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor SGC0946 (pdb code 7rfl). 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 SGC0946, PDB code: 7rfl:
Jump to Potassium binding site number: 1; 2; 3; 4; 5;

Potassium binding site 1 out of 5 in 7rfl

Go back to Potassium Binding Sites List in 7rfl
Potassium binding site 1 out of 5 in the Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor SGC0946


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 SGC0946 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K602

b:51.5
occ:1.00
 O A:TYR91 2.7 55.9 1.0
OE1 A:GLU93 2.8 58.5 1.0
O A:LYS89 2.8 54.4 1.0
O A:HOH825 2.9 54.8 1.0
O A:HOH823 2.9 57.5 1.0
O A:LYS88 2.9 47.9 1.0
O A:HOH826 3.2 51.5 1.0
CD A:GLU93 3.5 61.2 1.0
C A:LYS89 3.5 49.8 1.0
CB A:GLU93 3.8 57.9 1.0
CA A:LYS89 3.9 48.2 1.0
C A:TYR91 3.9 51.9 1.0
N A:GLU93 4.0 50.2 1.0
C A:LYS88 4.0 46.4 1.0
OE2 A:GLU93 4.1 72.6 1.0
CG A:GLU93 4.3 48.4 1.0
N A:TYR91 4.3 42.8 1.0
CA A:GLU93 4.4 44.2 1.0
N A:LYS89 4.4 42.7 1.0
N A:LYS90 4.5 54.0 1.0
C A:LYS90 4.6 47.9 1.0
CA A:TYR91 4.7 53.1 1.0
C A:ASP92 4.7 51.3 1.0
N A:ASP92 4.8 55.8 1.0
CA A:ASP92 4.9 61.1 1.0
O A:LYS90 4.9 44.5 1.0
CA A:LYS90 5.0 40.1 1.0

Potassium binding site 2 out of 5 in 7rfl

Go back to Potassium Binding Sites List in 7rfl
Potassium binding site 2 out of 5 in the Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor SGC0946


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 SGC0946 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K603

b:65.0
occ:1.00
 O A:HOH804 2.9 55.4 1.0
O A:VAL258 3.0 50.8 1.0
O A:GLY249 3.1 57.6 1.0
O A:ALA250 3.2 52.3 1.0
OG A:SER259 3.3 39.6 1.0
O A:HOH776 3.4 39.6 1.0
ND2 A:ASN251 3.5 64.0 1.0
C A:VAL258 3.7 46.3 1.0
C A:GLY249 3.7 50.1 1.0
C A:ALA250 3.8 51.0 1.0
CG A:ASN251 3.9 64.9 1.0
CA A:SER259 4.1 35.0 1.0
N A:SER259 4.2 40.4 1.0
CA A:ASN251 4.2 57.0 1.0
OD1 A:ASN251 4.2 54.8 1.0
CA A:GLY249 4.3 43.1 1.0
N A:ASN251 4.3 52.6 1.0
CB A:SER259 4.3 38.5 1.0
O A:HOH704 4.4 59.2 1.0
N A:VAL258 4.4 58.2 1.0
O A:HOH729 4.5 34.4 1.0
N A:ALA250 4.5 51.1 1.0
CA A:SER514 4.5 41.1 1.0
CB A:SER514 4.6 44.9 1.0
CB A:ASN251 4.6 56.8 1.0
CA A:VAL258 4.7 47.0 1.0
N A:LYS515 4.7 44.5 1.0
CA A:ALA250 4.8 48.4 1.0

Potassium binding site 3 out of 5 in 7rfl

Go back to Potassium Binding Sites List in 7rfl
Potassium binding site 3 out of 5 in the Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor SGC0946


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 SGC0946 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K702

b:53.9
occ:1.00
 O B:TYR91 2.7 63.6 1.0
O1 B:EDO705 2.8 53.9 1.0
O B:LYS89 2.8 49.2 1.0
OE1 B:GLU93 2.8 68.9 1.0
O B:LYS88 3.1 43.4 1.0
O2 B:EDO705 3.4 56.8 1.0
C B:LYS89 3.5 51.2 1.0
C1 B:EDO705 3.8 56.0 1.0
CD B:GLU93 3.8 73.5 1.0
C B:TYR91 3.8 43.8 1.0
C2 B:EDO705 3.9 55.9 1.0
O B:HOH894 3.9 62.4 1.0
CA B:LYS89 4.0 47.4 1.0
C B:LYS88 4.2 46.3 1.0
N B:GLU93 4.3 56.9 1.0
N B:TYR91 4.3 40.3 1.0
OE2 B:GLU93 4.4 83.2 1.0
CB B:GLU93 4.4 59.8 1.0
C B:LYS90 4.5 47.3 1.0
N B:LYS90 4.5 47.4 1.0
N B:LYS89 4.6 40.1 1.0
CA B:TYR91 4.6 48.6 1.0
O B:LYS90 4.7 39.2 1.0
N B:ASP92 4.7 43.9 1.0
CG B:GLU93 4.8 59.0 1.0
CA B:GLU93 4.8 55.4 1.0
CA B:ASP92 4.8 52.3 1.0
C B:ASP92 4.8 56.6 1.0
CA B:LYS90 4.9 43.4 1.0

Potassium binding site 4 out of 5 in 7rfl

Go back to Potassium Binding Sites List in 7rfl
Potassium binding site 4 out of 5 in the Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor SGC0946


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 SGC0946 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K703

b:59.0
occ:1.00
 O B:GLY249 2.9 46.5 1.0
O B:VAL258 2.9 41.6 1.0
OD1 B:ASN251 2.9 59.4 1.0
OG B:SER259 2.9 38.0 1.0
O B:HOH868 3.1 45.8 1.0
O B:ALA250 3.2 48.0 1.0
O B:HOH927 3.2 40.1 1.0
C B:GLY249 3.5 44.0 1.0
C B:VAL258 3.6 36.0 1.0
C B:ALA250 3.7 43.1 1.0
CA B:SER259 3.8 42.1 1.0
CB B:SER259 3.9 36.0 1.0
N B:SER259 4.0 41.8 1.0
CG B:ASN251 4.0 58.0 1.0
CA B:GLY249 4.2 47.7 1.0
CA B:ASN251 4.2 49.9 1.0
N B:ASN251 4.2 48.7 1.0
N B:ALA250 4.3 47.5 1.0
CA B:SER514 4.3 36.6 1.0
O F:HOH111 4.4 47.2 1.0
CB B:SER514 4.5 38.5 1.0
N B:VAL258 4.5 46.1 1.0
CA B:ALA250 4.6 44.4 1.0
N B:LYS515 4.6 49.1 1.0
CA B:VAL258 4.6 36.0 1.0
CB B:ASN251 4.7 53.6 1.0
O B:HOH812 4.7 35.7 1.0
C B:SER514 4.9 41.8 1.0
O B:MET513 5.0 46.1 1.0
ND2 B:ASN251 5.0 64.8 1.0

Potassium binding site 5 out of 5 in 7rfl

Go back to Potassium Binding Sites List in 7rfl
Potassium binding site 5 out of 5 in the Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor SGC0946


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 SGC0946 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K602

b:66.0
occ:1.00
 O C:VAL258 2.9 50.7 1.0
O C:HOH763 2.9 52.5 1.0
O C:ALA250 3.0 57.7 1.0
OD1 C:ASN251 3.0 75.5 1.0
OG C:SER259 3.1 46.6 1.0
O C:HOH759 3.1 47.9 1.0
O C:GLY249 3.2 53.9 1.0
C C:GLY249 3.5 58.8 1.0
C C:VAL258 3.6 55.7 1.0
C C:ALA250 3.7 62.2 1.0
CA C:GLY249 3.9 61.3 1.0
CA C:SER259 3.9 49.9 1.0
N C:SER259 4.0 53.7 1.0
CB C:SER259 4.1 49.7 1.0
CG C:ASN251 4.2 71.3 1.0
N C:ASN251 4.2 62.5 1.0
CA C:ASN251 4.2 66.2 1.0
N C:ALA250 4.2 65.2 1.0
CA C:ALA250 4.5 60.8 1.0
N C:VAL258 4.5 59.7 1.0
CA C:SER514 4.5 42.5 1.0
O C:HOH732 4.5 58.5 1.0
CB C:SER514 4.5 45.7 1.0
CA C:VAL258 4.6 62.5 1.0
N C:LYS515 4.7 46.6 1.0
CB C:ASN251 4.8 71.7 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: Mon Aug 12 20:54:00 2024

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