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Potassium in PDB 7tb0: E. Faecium Muraa in Complex with Fosfomycin and Unag

Enzymatic activity of E. Faecium Muraa in Complex with Fosfomycin and Unag

All present enzymatic activity of E. Faecium Muraa in Complex with Fosfomycin and Unag:
2.5.1.7;

Protein crystallography data

The structure of E. Faecium Muraa in Complex with Fosfomycin and Unag, PDB code: 7tb0 was solved by Y.Zhou, Y.Shamoo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.82 / 1.65
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 72.03, 96.81, 96.821, 115.06, 99.15, 103.88
R / Rfree (%) 11.6 / 15.8

Other elements in 7tb0:

The structure of E. Faecium Muraa in Complex with Fosfomycin and Unag also contains other interesting chemical elements:

Sodium (Na) 3 atoms
Chlorine (Cl) 4 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the E. Faecium Muraa in Complex with Fosfomycin and Unag (pdb code 7tb0). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 10 binding sites of Potassium where determined in the E. Faecium Muraa in Complex with Fosfomycin and Unag, PDB code: 7tb0:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Potassium binding site 1 out of 10 in 7tb0

Go back to Potassium Binding Sites List in 7tb0
Potassium binding site 1 out of 10 in the E. Faecium Muraa in Complex with Fosfomycin and Unag


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of E. Faecium Muraa in Complex with Fosfomycin and Unag within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K503

b:61.4
occ:1.00
 O A:GLY358 2.6 26.0 1.0
O A:HOH703 2.7 42.3 1.0
O A:VAL318 2.8 20.5 1.0
O A:HOH765 2.9 39.2 1.0
O A:ALA319 3.3 21.1 1.0
C A:VAL318 3.4 18.1 1.0
C A:GLY358 3.6 23.9 1.0
O A:HOH636 3.7 23.6 1.0
C A:ALA319 3.7 19.4 1.0
CA A:VAL318 4.0 17.7 1.0
N A:ALA319 4.1 17.6 1.0
N A:GLU320 4.2 20.4 1.0
CG A:GLU320 4.2 29.7 1.0
CA A:GLU320 4.3 23.2 1.0
CA A:ASN359 4.3 32.2 1.0
N A:ASN359 4.3 26.2 1.0
CA A:ALA319 4.4 17.7 1.0
OD1 A:ASN359 4.4 38.3 1.0
CA A:GLY358 4.5 23.7 1.0
O A:HIS360 4.6 29.8 1.0
N A:HIS360 4.7 29.1 1.0
CB A:VAL318 4.8 18.6 1.0
CB A:GLU320 4.9 25.5 1.0
C A:ASN359 5.0 30.8 1.0

Potassium binding site 2 out of 10 in 7tb0

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Potassium binding site 2 out of 10 in the E. Faecium Muraa in Complex with Fosfomycin and Unag


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of E. Faecium Muraa in Complex with Fosfomycin and Unag within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K504

b:79.3
occ:1.00
 O A:HOH952 2.9 54.7 1.0
O A:HOH961 3.1 56.4 1.0
O A:GLY109 3.3 14.8 1.0
OD1 A:ASP152 3.5 55.1 1.0
C A:GLY109 3.9 12.3 1.0
O A:ASN108 3.9 16.0 1.0
CG2 A:ILE150 4.0 23.0 1.0
O A:ALA151 4.0 24.9 1.0
CA A:GLY109 4.3 13.4 1.0
C A:ALA151 4.4 20.6 1.0
CB A:HIS110 4.4 14.9 1.0
CA A:ASP152 4.6 28.0 1.0
N A:ASP152 4.6 24.1 1.0
CG A:ASP152 4.7 51.6 1.0
N A:ALA151 4.7 16.6 1.0
N A:HIS110 4.7 12.2 1.0
C A:ASN108 4.9 15.4 1.0

Potassium binding site 3 out of 10 in 7tb0

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Potassium binding site 3 out of 10 in the E. Faecium Muraa in Complex with Fosfomycin and Unag


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of E. Faecium Muraa in Complex with Fosfomycin and Unag within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K505

b:85.3
occ:1.00
 O A:HOH819 2.5 39.4 1.0
O A:ALA106 3.1 17.1 1.0
O A:LYS178 3.1 18.6 1.0
O A:HOH783 3.4 39.9 1.0
O A:HOH920 3.7 50.1 1.0
CB A:LYS178 3.8 18.1 1.0
C A:LYS178 4.0 15.0 1.0
CD1 A:LEU154 4.0 18.5 1.0
C A:ALA106 4.0 14.1 1.0
O A:HOH963 4.2 46.7 1.0
CA A:ALA106 4.2 12.6 1.0
O A:LEU105 4.4 12.5 1.0
CG A:LEU154 4.6 15.8 1.0
CA A:LYS178 4.6 14.5 1.0
CB A:LEU154 4.6 15.2 1.0
CD A:LYS178 4.9 26.8 1.0
CG A:LYS178 5.0 20.8 1.0
N A:ALA179 5.0 13.7 1.0
CE A:LYS178 5.0 34.2 1.0

Potassium binding site 4 out of 10 in 7tb0

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Potassium binding site 4 out of 10 in the E. Faecium Muraa in Complex with Fosfomycin and Unag


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of E. Faecium Muraa in Complex with Fosfomycin and Unag within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K506

b:49.6
occ:1.00
 O A:HOH992 2.5 49.6 1.0
OD1 A:ASP196 2.7 17.4 1.0
O A:SER230 2.7 15.0 1.0
O A:HOH960 2.8 33.9 1.0
O A:HOH621 3.4 25.3 1.0
N A:VAL232 3.5 11.5 1.0
CG A:ASP196 3.5 14.4 1.0
OD2 A:ASP196 3.7 14.0 1.0
NE2 A:HIS229 3.7 17.5 1.0
CA A:VAL232 3.9 12.1 1.0
C A:SER230 3.9 12.2 1.0
C A:ILE231 4.0 11.6 1.0
CB A:VAL232 4.0 13.8 1.0
O A:HOH962 4.0 38.7 1.0
CE1 A:HIS229 4.1 18.5 1.0
CA A:ILE231 4.5 11.0 1.0
CD2 A:HIS229 4.5 16.4 1.0
O A:ILE231 4.6 12.9 1.0
O A:HOH853 4.7 23.6 1.0
N A:ILE231 4.7 12.0 1.0
O A:HOH644 4.7 31.2 1.0
CB A:ASP196 4.8 11.0 1.0
CG2 A:VAL232 4.8 14.0 1.0
O A:HOH1008 4.9 33.9 1.0

Potassium binding site 5 out of 10 in 7tb0

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Potassium binding site 5 out of 10 in the E. Faecium Muraa in Complex with Fosfomycin and Unag


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of E. Faecium Muraa in Complex with Fosfomycin and Unag within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K507

b:68.9
occ:1.00
 O A:HOH786 2.5 23.5 1.0
O A:PHE330 2.6 15.9 1.0
O A:HOH892 3.0 33.7 1.0
O A:GLU327 3.1 14.1 1.0
O A:HOH877 3.3 30.1 1.0
CB A:ASN352 3.5 20.5 1.0
CG A:GLU327 3.6 12.2 1.0
O A:GLU331 3.6 17.7 1.0
C A:GLU331 3.6 13.7 1.0
CB A:GLU327 3.7 12.7 1.0
CA A:GLU331 3.7 15.9 1.0
C A:PHE330 3.7 12.9 1.0
CA A:ASN352 3.9 17.6 1.0
C A:GLU327 4.0 13.4 1.0
N A:GLU331 4.1 13.7 1.0
N A:ASN332 4.4 13.1 1.0
CA A:GLU327 4.4 12.2 1.0
O A:HOH916 4.4 30.1 1.0
O A:ASN352 4.7 14.2 1.0
C A:ASN352 4.8 15.9 1.0
N A:ARG333 4.8 9.8 1.0
N A:ASN352 4.9 18.4 1.0
CE2 A:PHE334 4.9 15.2 1.0
CG A:ASN352 4.9 22.8 1.0
CD A:GLU327 5.0 13.3 1.0
O A:GLY351 5.0 19.4 1.0
N A:GLU327 5.0 12.3 1.0
CA A:PHE330 5.0 10.6 1.0

Potassium binding site 6 out of 10 in 7tb0

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Potassium binding site 6 out of 10 in the E. Faecium Muraa in Complex with Fosfomycin and Unag


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of E. Faecium Muraa in Complex with Fosfomycin and Unag within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K503

b:94.4
occ:1.00
 OE1 B:GLN335 2.3 32.4 1.0
O B:HOH722 2.6 20.4 1.0
OD2 B:ASP371 2.8 13.3 1.0
OG1 B:THR370 3.0 19.1 1.0
O B:HOH664 3.1 21.9 1.0
CB B:THR370 3.3 16.4 1.0
CD B:GLN335 3.4 27.5 1.0
O B:ALA120 3.5 15.5 1.0
CG B:ASP371 3.8 11.7 1.0
CG2 B:ILE121 3.8 11.3 1.0
CB B:GLN335 3.9 19.0 1.0
O B:THR370 3.9 13.5 1.0
O B:HOH758 3.9 20.7 1.0
CG B:GLN335 4.0 23.9 1.0
C B:THR370 4.1 12.7 1.0
CB B:ASP371 4.1 12.1 1.0
O B:ASN332 4.1 15.3 1.0
CA B:THR370 4.3 13.2 1.0
C B:ALA120 4.4 12.3 1.0
CG2 B:THR370 4.4 21.2 1.0
NE2 B:GLN335 4.5 33.1 1.0
N B:ASP371 4.6 11.9 1.0
O C:HOH674 4.6 16.7 1.0
CA B:ILE121 4.8 11.0 1.0
OD1 B:ASP371 4.9 12.6 1.0
CB B:ILE121 4.9 11.2 1.0
CA B:ASP371 5.0 11.6 1.0
N B:ILE121 5.0 10.4 1.0

Potassium binding site 7 out of 10 in 7tb0

Go back to Potassium Binding Sites List in 7tb0
Potassium binding site 7 out of 10 in the E. Faecium Muraa in Complex with Fosfomycin and Unag


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of E. Faecium Muraa in Complex with Fosfomycin and Unag within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K503

b:65.3
occ:1.00
 O C:HOH841 2.4 38.0 1.0
O C:HOH929 2.5 37.8 1.0
O C:GLU327 3.2 13.9 1.0
O C:HOH683 3.3 28.2 1.0
O C:PHE330 3.4 15.7 1.0
C C:PHE330 3.9 12.9 1.0
O C:THR328 4.0 13.2 1.0
C C:THR328 4.0 11.7 1.0
CA C:GLU331 4.0 15.7 1.0
CB C:ASN352 4.1 18.8 1.0
CA C:THR328 4.1 12.5 1.0
O C:HOH756 4.1 42.4 1.0
ND2 C:ASN352 4.2 29.4 1.0
N C:GLU331 4.2 14.2 1.0
C C:GLU327 4.2 12.7 1.0
N C:VAL329 4.6 11.1 1.0
N C:PHE330 4.6 11.6 1.0
N C:THR328 4.6 11.9 1.0
O C:HOH910 4.7 25.9 1.0
CG C:ASN352 4.7 21.3 1.0
CG C:GLU331 4.7 28.3 1.0
CB C:GLU331 4.8 19.8 1.0
CA C:PHE330 4.8 11.0 1.0
C C:VAL329 4.9 11.0 1.0
O C:HOH663 5.0 36.3 1.0
O D:HOH838 5.0 39.1 1.0

Potassium binding site 8 out of 10 in 7tb0

Go back to Potassium Binding Sites List in 7tb0
Potassium binding site 8 out of 10 in the E. Faecium Muraa in Complex with Fosfomycin and Unag


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of E. Faecium Muraa in Complex with Fosfomycin and Unag within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K504

b:84.6
occ:1.00
 O D:HOH706 2.4 44.4 1.0
OD2 C:ASP127 2.8 23.7 1.0
O2 C:UD1501 3.2 20.5 1.0
OD1 C:ASP127 3.4 21.2 1.0
CG C:ASP127 3.4 18.1 1.0
O C:HOH943 3.6 55.4 1.0
O D:HOH955 3.6 45.4 1.0
O C:HOH904 3.7 44.0 1.0
C2 C:UD1501 3.9 17.1 1.0
N3 C:UD1501 3.9 14.5 1.0
CG C:LEU128 4.2 13.1 1.0
CD2 C:LEU128 4.2 15.9 1.0
NZ D:LYS297 4.3 37.5 1.0
CD1 C:LEU128 4.5 14.3 1.0
O C:HOH701 4.7 30.9 1.0
CB C:ASP127 4.9 15.1 1.0
CE D:LYS297 4.9 29.1 1.0

Potassium binding site 9 out of 10 in 7tb0

Go back to Potassium Binding Sites List in 7tb0
Potassium binding site 9 out of 10 in the E. Faecium Muraa in Complex with Fosfomycin and Unag


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 9 of E. Faecium Muraa in Complex with Fosfomycin and Unag within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K503

b:62.5
occ:1.00
 O D:HOH788 2.4 32.1 1.0
O D:HOH906 2.8 35.1 1.0
O D:VAL63 2.9 13.5 1.0
O D:ARG59 3.0 13.9 1.0
C D:ARG59 3.8 12.9 1.0
CB D:ARG59 3.8 12.3 1.0
C D:VAL63 3.8 13.9 1.0
CA D:ARG59 3.9 11.8 1.0
N D:VAL63 4.0 12.4 1.0
OD1 D:ASP64 4.1 22.3 1.0
NH2 D:ARG80 4.3 20.3 1.0
CG D:ARG59 4.3 14.8 1.0
O D:HOH871 4.5 16.7 1.0
CA D:VAL63 4.6 12.4 1.0
N D:ASP64 4.6 14.1 1.0
CA D:ASN62 4.7 16.0 1.0
C D:ASN62 4.7 15.4 1.0
CA D:ASP64 4.8 13.8 1.0
CD D:ARG59 4.8 15.9 1.0
N D:HIS60 5.0 13.8 1.0

Potassium binding site 10 out of 10 in 7tb0

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Potassium binding site 10 out of 10 in the E. Faecium Muraa in Complex with Fosfomycin and Unag


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 10 of E. Faecium Muraa in Complex with Fosfomycin and Unag within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K504

b:44.5
occ:1.00
 O D:HOH1005 2.4 38.8 1.0
O D:ASN395 2.7 11.4 1.0
OG D:SER49 2.8 18.6 1.0
O D:HOH977 2.9 42.8 1.0
CB D:SER49 3.2 16.4 1.0
C D:ASN395 3.6 12.5 1.0
CA D:ASN395 3.8 12.8 1.0
CG D:ARG399 3.9 11.1 1.0
CB D:ASP398 4.0 12.9 1.0
O D:HOH938 4.1 43.3 1.0
CB D:ASN395 4.2 15.6 1.0
O D:HOH708 4.2 38.8 1.0
N D:ARG399 4.2 10.0 1.0
C D:ASP398 4.4 10.1 1.0
CA D:ASP398 4.6 10.8 1.0
O D:HOH924 4.7 36.5 1.0
CA D:SER49 4.7 11.1 1.0
CA D:ARG399 4.8 10.0 1.0
N D:TYR396 4.8 11.3 1.0
CD D:ARG399 4.9 11.2 1.0
O D:ASP398 4.9 11.7 1.0
O D:HOH718 4.9 21.3 1.0
CB D:ARG399 5.0 10.0 1.0
N D:ASP398 5.0 11.1 1.0

Reference:

Y.Zhou, Y.Shamoo. E. Faecium Muraa in Complex with Fosfomycin and Unag To Be Published.
Page generated: Mon Aug 12 21:14:37 2024

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