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Potassium in PDB 6c0y: Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin

Protein crystallography data

The structure of Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin, PDB code: 6c0y was solved by D.P.Cogan, S.K.Nair, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.72 / 1.66
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 59.881, 67.423, 69.122, 71.51, 76.25, 72.92
R / Rfree (%) 18.4 / 24.2

Potassium Binding Sites:

The binding sites of Potassium atom in the Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin (pdb code 6c0y). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 8 binding sites of Potassium where determined in the Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin, PDB code: 6c0y:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Potassium binding site 1 out of 8 in 6c0y

Go back to Potassium Binding Sites List in 6c0y
Potassium binding site 1 out of 8 in the Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K201

b:18.1
occ:1.00
O E:LEU45 2.6 18.3 1.0
O A:LEU29 2.6 25.9 1.0
O A:CYS26 2.8 15.8 1.0
O A:SER27 2.9 20.0 1.0
O E:ALA42 2.9 14.1 1.0
O E:LEU43 2.9 16.5 1.0
C A:SER27 3.4 16.4 1.0
C E:LEU43 3.4 15.8 1.0
C E:LEU45 3.6 20.4 1.0
CA A:SER27 3.7 15.0 1.0
CA E:LEU43 3.8 14.6 1.0
C A:LEU29 3.8 23.4 1.0
N E:LEU45 3.8 18.8 1.0
C A:CYS26 3.9 15.8 1.0
C E:ALA42 3.9 15.3 1.0
N A:LEU29 4.0 19.3 1.0
CA E:LEU45 4.0 20.4 1.0
CB E:LEU45 4.1 21.0 1.0
N A:SER27 4.3 14.7 1.0
N A:LEU28 4.3 18.6 1.0
N E:LEU43 4.3 13.1 1.0
CA A:LEU29 4.4 21.2 1.0
N E:ALA44 4.4 14.8 1.0
N A:PRO31 4.4 20.6 1.0
CD A:PRO31 4.4 22.8 1.0
C E:ALA44 4.5 18.3 1.0
C A:LEU28 4.6 18.6 1.0
CB A:LEU29 4.7 18.7 1.0
C A:PRO30 4.7 23.3 1.0
N E:HIS46 4.8 22.1 1.0
CB A:PRO31 4.9 22.3 1.0
CG A:PRO31 4.9 21.9 1.0
CA A:PRO31 4.9 21.0 1.0
N A:PRO30 4.9 24.3 1.0
CA A:LEU28 4.9 17.3 1.0
CA A:PRO30 5.0 21.1 1.0
CA E:ALA44 5.0 18.1 1.0

Potassium binding site 2 out of 8 in 6c0y

Go back to Potassium Binding Sites List in 6c0y
Potassium binding site 2 out of 8 in the Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K202

b:15.2
occ:1.00
O A:LEU45 2.7 17.5 1.0
O E:LEU29 2.7 16.0 1.0
O A:LEU43 2.8 15.4 1.0
O E:CYS26 2.8 14.7 1.0
O E:SER27 2.8 14.5 0.5
O E:SER27 2.9 15.4 0.5
O A:ALA42 3.0 14.2 1.0
C A:LEU43 3.4 15.2 1.0
C E:SER27 3.4 14.1 0.5
C E:SER27 3.4 15.2 0.5
C A:LEU45 3.7 17.3 1.0
CA E:SER27 3.7 15.8 0.5
CA E:SER27 3.7 13.8 0.5
CA A:LEU43 3.8 14.7 1.0
C E:LEU29 3.8 17.3 1.0
N A:LEU45 3.8 15.9 1.0
C E:CYS26 3.9 14.9 1.0
C A:ALA42 4.0 15.6 1.0
N E:LEU29 4.1 13.2 1.0
CA A:LEU45 4.1 17.0 1.0
N E:SER27 4.3 15.1 0.5
N E:SER27 4.3 13.9 0.5
CB A:LEU45 4.3 18.4 1.0
N A:LEU43 4.4 13.9 1.0
N E:LEU28 4.4 13.1 1.0
N A:ALA44 4.4 16.0 1.0
CD E:PRO31 4.4 19.5 1.0
C A:ALA44 4.4 16.6 1.0
CA E:LEU29 4.4 15.5 1.0
C E:LEU28 4.6 14.6 1.0
N E:PRO31 4.6 17.5 1.0
CG E:PRO31 4.7 20.6 1.0
CB E:LEU29 4.8 15.6 1.0
C E:PRO30 4.9 16.2 1.0
N E:PRO30 4.9 16.6 1.0
CA A:ALA44 4.9 17.1 1.0
N A:HIS46 4.9 17.9 1.0
CB E:PRO31 4.9 20.1 1.0
CA E:LEU28 4.9 12.9 1.0
CA E:PRO31 5.0 18.0 1.0
O E:HOH365 5.0 24.2 1.0
O A:ALA44 5.0 17.6 1.0

Potassium binding site 3 out of 8 in 6c0y

Go back to Potassium Binding Sites List in 6c0y
Potassium binding site 3 out of 8 in the Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K201

b:15.1
occ:1.00
O B:LEU29 2.6 18.1 1.0
O F:LEU45 2.7 18.7 1.0
O B:CYS26 2.8 13.6 1.0
O B:SER27 2.8 17.4 1.0
O F:LEU43 2.8 14.8 1.0
O F:ALA42 2.9 14.8 1.0
C B:SER27 3.4 15.8 1.0
C F:LEU43 3.4 16.1 1.0
C F:LEU45 3.7 17.8 1.0
CA B:SER27 3.7 14.2 1.0
N F:LEU45 3.7 16.8 1.0
CA F:LEU43 3.8 13.8 1.0
C B:LEU29 3.8 18.1 1.0
C B:CYS26 3.9 15.1 1.0
C F:ALA42 4.0 14.3 1.0
N B:LEU29 4.0 13.7 1.0
CA F:LEU45 4.0 17.9 1.0
CB F:LEU45 4.1 18.3 1.0
N B:SER27 4.2 13.9 1.0
N B:LEU28 4.3 15.8 1.0
CD B:PRO31 4.3 17.8 1.0
N F:ALA44 4.3 15.4 1.0
C F:ALA44 4.4 16.0 1.0
N F:LEU43 4.4 13.8 1.0
CA B:LEU29 4.4 15.9 1.0
N B:PRO31 4.5 17.5 1.0
C B:LEU28 4.6 16.2 1.0
CB B:LEU29 4.8 15.2 1.0
C B:PRO30 4.8 17.3 1.0
CG B:PRO31 4.8 18.9 1.0
CA F:ALA44 4.8 16.6 1.0
CA B:LEU28 4.9 15.6 1.0
N B:PRO30 4.9 17.6 1.0
N F:HIS46 4.9 19.9 1.0
CA B:PRO31 4.9 19.3 1.0
CA B:PRO30 5.0 18.3 1.0
CB B:PRO31 5.0 19.5 1.0
O F:ALA44 5.0 20.1 1.0

Potassium binding site 4 out of 8 in 6c0y

Go back to Potassium Binding Sites List in 6c0y
Potassium binding site 4 out of 8 in the Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K202

b:16.0
occ:1.00
O F:LEU29 2.6 19.0 1.0
O B:LEU45 2.7 19.1 1.0
O F:CYS26 2.8 14.2 1.0
O B:LEU43 2.8 16.9 1.0
O B:ALA42 2.9 14.3 1.0
O F:SER27 2.9 16.2 1.0
C B:LEU43 3.4 15.1 1.0
C F:SER27 3.4 17.2 1.0
C B:LEU45 3.7 18.0 1.0
CA B:LEU43 3.7 15.4 1.0
C F:LEU29 3.8 17.2 1.0
N B:LEU45 3.8 18.0 1.0
CA F:SER27 3.8 15.7 1.0
C F:CYS26 3.8 14.3 1.0
C B:ALA42 4.0 14.1 1.0
N F:LEU29 4.1 16.8 1.0
CA B:LEU45 4.1 18.2 1.0
N F:SER27 4.3 15.5 1.0
CB B:LEU45 4.3 18.5 1.0
N F:LEU28 4.3 15.4 1.0
N B:LEU43 4.3 14.5 1.0
N B:ALA44 4.4 15.6 1.0
C B:ALA44 4.4 19.4 1.0
CD F:PRO31 4.4 17.4 1.0
CA F:LEU29 4.4 17.9 1.0
N F:PRO31 4.4 16.5 1.0
C F:LEU28 4.6 16.5 1.0
C F:PRO30 4.7 16.3 1.0
CB F:LEU29 4.7 15.6 1.0
CA F:PRO31 4.8 16.3 1.0
CA B:ALA44 4.8 16.2 1.0
N F:PRO30 4.8 19.1 1.0
CB F:PRO31 4.8 18.7 1.0
CA F:PRO30 4.9 18.1 1.0
CA F:LEU28 4.9 16.2 1.0
N B:HIS46 4.9 22.1 1.0
CG F:PRO31 4.9 19.4 1.0

Potassium binding site 5 out of 8 in 6c0y

Go back to Potassium Binding Sites List in 6c0y
Potassium binding site 5 out of 8 in the Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K201

b:12.9
occ:1.00
O C:LEU29 2.6 14.1 1.0
O G:LEU45 2.6 14.5 1.0
O G:LEU43 2.8 12.2 1.0
O C:CYS26 2.9 11.8 1.0
O C:SER27 2.9 13.0 0.4
O G:ALA42 2.9 10.5 1.0
O C:SER27 2.9 12.9 0.6
C G:LEU43 3.3 12.1 1.0
C C:SER27 3.4 12.9 0.4
C C:SER27 3.5 12.9 0.6
C G:LEU45 3.7 13.9 1.0
CA C:SER27 3.7 12.7 0.4
CA C:SER27 3.7 12.5 0.6
C C:LEU29 3.8 14.9 1.0
CA G:LEU43 3.8 12.0 1.0
N G:LEU45 3.8 13.9 1.0
C C:CYS26 3.9 14.0 1.0
C G:ALA42 3.9 11.1 1.0
N C:LEU29 4.0 13.0 1.0
CA G:LEU45 4.1 15.3 1.0
CB G:LEU45 4.2 17.1 1.0
N G:ALA44 4.2 12.0 1.0
N C:SER27 4.2 12.8 0.4
N C:SER27 4.3 12.6 0.6
CD C:PRO31 4.3 17.3 1.0
C G:ALA44 4.3 14.0 1.0
N G:LEU43 4.4 11.1 1.0
CA C:LEU29 4.4 14.8 1.0
N C:LEU28 4.4 12.7 1.0
N C:PRO31 4.5 14.8 1.0
C C:LEU28 4.7 15.9 1.0
CB C:LEU29 4.7 14.2 1.0
CA G:ALA44 4.7 14.6 1.0
C C:PRO30 4.8 14.0 1.0
N C:PRO30 4.8 14.5 1.0
N G:HIS46 4.9 17.2 1.0
CG C:PRO31 4.9 19.1 1.0
N G:GLU47 4.9 15.9 1.0
CA C:PRO30 4.9 14.6 1.0
O G:ALA44 5.0 16.0 1.0
CA C:PRO31 5.0 16.7 1.0
CA C:LEU28 5.0 13.4 1.0

Potassium binding site 6 out of 8 in 6c0y

Go back to Potassium Binding Sites List in 6c0y
Potassium binding site 6 out of 8 in the Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K202

b:14.0
occ:1.00
O G:LEU29 2.6 15.7 1.0
O C:LEU45 2.7 14.2 1.0
O C:ALA42 2.8 12.8 1.0
O G:CYS26 2.9 11.9 1.0
O C:LEU43 2.9 12.3 1.0
O G:SER27 3.0 12.7 0.3
O G:SER27 3.0 13.9 0.7
C C:LEU43 3.4 11.7 1.0
C G:SER27 3.4 14.6 0.7
C G:SER27 3.5 12.9 0.3
CA G:SER27 3.7 13.1 0.7
CA C:LEU43 3.7 11.7 1.0
C C:LEU45 3.7 14.9 1.0
C G:LEU29 3.8 14.7 1.0
N C:LEU45 3.8 13.7 1.0
CA G:SER27 3.8 11.8 0.3
C C:ALA42 3.9 12.3 1.0
C G:CYS26 3.9 11.9 1.0
N G:LEU29 4.0 12.3 1.0
CA C:LEU45 4.1 15.7 1.0
CB C:LEU45 4.2 15.6 1.0
N C:LEU43 4.3 10.6 1.0
N G:SER27 4.3 12.8 0.7
N G:LEU28 4.3 12.9 1.0
N G:SER27 4.3 11.9 0.3
N C:ALA44 4.4 12.7 1.0
CD G:PRO31 4.4 16.8 1.0
C C:ALA44 4.4 13.9 1.0
CA G:LEU29 4.4 13.5 1.0
N G:PRO31 4.5 15.1 1.0
C G:LEU28 4.7 13.2 1.0
C G:PRO30 4.7 15.7 1.0
CB G:LEU29 4.8 13.1 1.0
N G:PRO30 4.8 16.8 1.0
CA G:PRO31 4.8 16.4 1.0
CB G:PRO31 4.8 18.4 1.0
O G:HOH321 4.9 20.2 1.0
N C:HIS46 4.9 15.7 1.0
CA G:PRO30 4.9 16.4 1.0
CB C:GLU47 4.9 20.6 1.0
CA C:ALA44 4.9 13.7 1.0
CA G:LEU28 4.9 13.5 1.0
CG G:PRO31 5.0 18.8 1.0
CB G:SER27 5.0 14.2 0.7
CB C:LEU43 5.0 12.1 1.0

Potassium binding site 7 out of 8 in 6c0y

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Potassium binding site 7 out of 8 in the Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K201

b:17.2
occ:1.00
O D:LEU29 2.6 22.3 1.0
O H:LEU45 2.7 18.4 1.0
O D:SER27 2.8 16.6 0.6
O D:CYS26 2.8 15.8 1.0
O H:LEU43 2.8 15.6 1.0
O D:SER27 2.8 14.9 0.4
O H:ALA42 3.0 15.8 1.0
C H:LEU43 3.3 17.3 1.0
C D:SER27 3.4 16.0 0.6
C D:SER27 3.4 14.3 0.4
C H:LEU45 3.7 21.6 1.0
CA H:LEU43 3.7 16.3 1.0
CA D:SER27 3.7 16.1 0.6
CA D:SER27 3.8 13.2 0.4
C D:LEU29 3.8 20.7 1.0
N H:LEU45 3.8 20.4 1.0
C D:CYS26 3.9 15.1 1.0
C H:ALA42 4.0 15.9 1.0
N D:LEU29 4.0 18.1 1.0
CA H:LEU45 4.2 20.1 1.0
N D:SER27 4.3 13.8 0.6
N D:SER27 4.3 12.8 0.4
N H:ALA44 4.3 17.9 1.0
N H:LEU43 4.3 15.5 1.0
N D:LEU28 4.3 14.9 1.0
CB H:LEU45 4.4 21.0 1.0
C H:ALA44 4.4 21.2 1.0
CA D:LEU29 4.4 18.7 1.0
N D:PRO31 4.5 23.2 1.0
C D:LEU28 4.5 17.9 1.0
CD D:PRO31 4.5 23.4 1.0
CB D:LEU29 4.7 19.1 1.0
CG D:PRO31 4.7 24.5 1.0
C D:PRO30 4.7 21.5 1.0
CA D:PRO31 4.8 23.3 1.0
CA H:ALA44 4.8 19.5 1.0
CB D:PRO31 4.8 23.1 1.0
N D:PRO30 4.9 21.7 1.0
N H:HIS46 4.9 24.4 1.0
CA D:LEU28 4.9 16.2 1.0
CA D:PRO30 5.0 23.0 1.0

Potassium binding site 8 out of 8 in 6c0y

Go back to Potassium Binding Sites List in 6c0y
Potassium binding site 8 out of 8 in the Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of Lysinoalanine Synthase, Durn, From Duramycin Biosynthesis Bound to Duramycin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K202

b:14.9
occ:1.00
O H:LEU29 2.6 17.1 1.0
O D:LEU45 2.6 16.6 1.0
O H:CYS26 2.8 15.3 1.0
O H:SER27 2.8 15.0 0.5
O D:LEU43 2.9 15.0 1.0
O H:SER27 2.9 14.2 0.5
O D:ALA42 3.0 14.8 1.0
C H:SER27 3.4 13.7 0.5
C D:LEU43 3.4 14.4 1.0
C H:SER27 3.4 13.1 0.5
C D:LEU45 3.7 19.4 1.0
CA D:LEU43 3.7 14.3 1.0
C H:LEU29 3.7 15.3 1.0
CA H:SER27 3.8 14.0 0.5
CA H:SER27 3.8 12.9 0.5
N D:LEU45 3.9 17.3 1.0
C H:CYS26 3.9 13.6 1.0
C D:ALA42 4.0 13.5 1.0
N H:LEU29 4.0 12.4 1.0
CA D:LEU45 4.1 19.1 1.0
CB D:LEU45 4.2 20.3 1.0
CD H:PRO31 4.3 18.9 1.0
N H:SER27 4.3 13.5 0.5
N H:SER27 4.3 12.8 0.5
N H:LEU28 4.3 14.1 1.0
CA H:LEU29 4.4 13.6 1.0
N D:LEU43 4.4 13.3 1.0
N D:ALA44 4.4 16.6 1.0
C D:ALA44 4.4 18.2 1.0
N H:PRO31 4.5 17.8 1.0
C H:LEU28 4.7 14.6 1.0
CB H:LEU29 4.7 13.2 1.0
C H:PRO30 4.8 17.4 1.0
CG H:PRO31 4.8 20.7 1.0
N H:PRO30 4.8 16.3 1.0
CB H:PRO31 4.9 20.0 1.0
N D:HIS46 4.9 18.2 1.0
CA H:PRO31 4.9 17.9 1.0
O H:HOH338 4.9 22.3 1.0
CA H:LEU28 4.9 13.5 1.0
CA D:ALA44 4.9 17.0 1.0
CA H:PRO30 5.0 18.4 1.0
CB D:GLU47 5.0 20.2 1.0
CB D:LEU43 5.0 15.7 1.0

Reference:

L.An, D.P.Cogan, C.D.Navo, G.Jimenez-Oses, S.K.Nair, W.A.Van Der Donk. Substrate-Assisted Enzymatic Formation of Lysinoalanine in Duramycin. Nat. Chem. Biol. V. 14 928 2018.
ISSN: ESSN 1552-4469
PubMed: 30177849
DOI: 10.1038/S41589-018-0122-4
Page generated: Mon Aug 12 15:29:20 2024

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