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Potassium in PDB 4mj3: Haloalkane Dehalogenase Dmra From Mycobacterium Rhodesiae JS60

Enzymatic activity of Haloalkane Dehalogenase Dmra From Mycobacterium Rhodesiae JS60

All present enzymatic activity of Haloalkane Dehalogenase Dmra From Mycobacterium Rhodesiae JS60:
3.8.1.5;

Protein crystallography data

The structure of Haloalkane Dehalogenase Dmra From Mycobacterium Rhodesiae JS60, PDB code: 4mj3 was solved by H.Fung, M.S.Gadd, J.M.Guss, J.M.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.72 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 84.220, 79.079, 95.761, 90.00, 92.52, 90.00
R / Rfree (%) 16.5 / 19

Other elements in 4mj3:

The structure of Haloalkane Dehalogenase Dmra From Mycobacterium Rhodesiae JS60 also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Haloalkane Dehalogenase Dmra From Mycobacterium Rhodesiae JS60 (pdb code 4mj3). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 6 binding sites of Potassium where determined in the Haloalkane Dehalogenase Dmra From Mycobacterium Rhodesiae JS60, PDB code: 4mj3:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6;

Potassium binding site 1 out of 6 in 4mj3

Go back to Potassium Binding Sites List in 4mj3
Potassium binding site 1 out of 6 in the Haloalkane Dehalogenase Dmra From Mycobacterium Rhodesiae JS60


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Haloalkane Dehalogenase Dmra From Mycobacterium Rhodesiae JS60 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K402

b:12.8
occ:1.00
 O B:SER186 2.6 13.4 1.0
O B:ASN181 2.7 11.7 1.0
O B:SER184 2.8 11.2 1.0
O B:HOH537 2.8 19.9 1.0
OD1 B:ASN181 2.8 12.6 1.0
O B:HOH665 3.2 31.6 1.0
CG B:ASN181 3.5 14.9 1.0
C B:SER186 3.6 16.1 1.0
C B:ASN181 3.7 10.9 1.0
C B:SER184 3.7 12.3 1.0
ND2 B:ASN181 3.9 15.3 1.0
O B:LEU185 4.1 15.7 1.0
C B:LEU185 4.1 15.8 1.0
K B:K403 4.1 14.4 1.0
CA B:THR187 4.2 13.5 1.0
CA B:ASN181 4.2 10.7 1.0
N B:THR187 4.3 13.7 1.0
CB B:SER184 4.3 12.3 1.0
N B:SER186 4.4 14.6 1.0
CA B:SER184 4.4 11.3 1.0
CB B:ASN181 4.5 12.6 1.0
N B:LEU185 4.5 13.0 1.0
CA B:LEU185 4.6 14.9 1.0
N B:SER184 4.6 11.0 1.0
CA B:SER186 4.7 17.1 1.0
N B:GLY182 4.8 11.3 1.0
N B:LEU188 4.9 12.8 1.0
OG1 B:THR187 4.9 15.6 1.0

Potassium binding site 2 out of 6 in 4mj3

Go back to Potassium Binding Sites List in 4mj3
Potassium binding site 2 out of 6 in the Haloalkane Dehalogenase Dmra From Mycobacterium Rhodesiae JS60


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Haloalkane Dehalogenase Dmra From Mycobacterium Rhodesiae JS60 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K403

b:14.4
occ:1.00
 O B:HOH515 2.7 17.3 1.0
O B:GLY182 2.8 12.6 1.0
O B:SER184 2.8 11.2 1.0
C B:GLY182 3.6 9.9 1.0
C B:SER184 3.8 12.3 1.0
O B:ASN181 3.9 11.7 1.0
N B:SER184 4.0 11.0 1.0
K B:K402 4.1 12.8 1.0
K B:K404 4.1 12.3 1.0
CA B:GLY182 4.3 11.2 1.0
N B:GLY183 4.3 9.1 1.0
O B:HOH665 4.4 31.6 1.0
C B:GLY183 4.5 10.3 1.0
CA B:GLY183 4.5 9.7 1.0
N B:LEU185 4.5 13.0 1.0
CA B:SER184 4.6 11.3 1.0
CA B:LEU185 4.7 14.9 1.0
C B:ASN181 4.9 10.9 1.0
CD2 B:LEU185 4.9 17.1 1.0

Potassium binding site 3 out of 6 in 4mj3

Go back to Potassium Binding Sites List in 4mj3
Potassium binding site 3 out of 6 in the Haloalkane Dehalogenase Dmra From Mycobacterium Rhodesiae JS60


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Haloalkane Dehalogenase Dmra From Mycobacterium Rhodesiae JS60 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K404

b:12.3
occ:1.00
 O B:GLY182 2.8 12.6 1.0
C B:GLY182 3.6 9.9 1.0
CA B:GLY182 3.9 11.2 1.0
K B:K403 4.1 14.4 1.0
O B:HOH515 4.6 17.3 1.0
N B:GLY183 4.8 9.1 1.0
O B:HOH630 4.9 24.4 1.0

Potassium binding site 4 out of 6 in 4mj3

Go back to Potassium Binding Sites List in 4mj3
Potassium binding site 4 out of 6 in the Haloalkane Dehalogenase Dmra From Mycobacterium Rhodesiae JS60


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Haloalkane Dehalogenase Dmra From Mycobacterium Rhodesiae JS60 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K402

b:14.9
occ:1.00
 O C:SER186 2.6 17.4 1.0
O C:SER184 2.7 14.2 1.0
O C:ASN181 2.7 13.7 1.0
O D:GLY182 2.8 15.1 1.0
O C:HOH553 2.8 22.5 1.0
OD1 C:ASN181 2.9 15.6 1.0
CG C:ASN181 3.6 17.6 1.0
C D:GLY182 3.6 15.4 1.0
C C:SER184 3.6 15.0 1.0
C C:SER186 3.6 18.5 1.0
C C:ASN181 3.7 13.8 1.0
CA D:GLY182 3.8 16.0 1.0
ND2 C:ASN181 3.9 17.9 1.0
O C:LEU185 4.0 21.1 1.0
C C:LEU185 4.0 20.6 1.0
K D:K402 4.2 21.9 1.0
CA C:THR187 4.2 19.8 1.0
CB C:SER184 4.3 16.0 1.0
CA C:ASN181 4.3 13.4 1.0
N C:THR187 4.3 18.4 1.0
N C:SER186 4.3 18.5 1.0
CA C:SER184 4.4 14.7 1.0
N C:LEU185 4.4 16.9 1.0
CA C:LEU185 4.5 18.6 1.0
O D:HOH645 4.5 25.5 1.0
N C:SER184 4.5 14.2 1.0
CB C:ASN181 4.5 15.0 1.0
CA C:SER186 4.6 20.4 1.0
N D:GLY183 4.7 13.9 1.0
N C:GLY182 4.8 12.7 1.0
O D:HOH708 4.8 31.8 1.0
OG1 C:THR187 4.9 20.6 1.0
N C:LEU188 4.9 17.8 1.0

Potassium binding site 5 out of 6 in 4mj3

Go back to Potassium Binding Sites List in 4mj3
Potassium binding site 5 out of 6 in the Haloalkane Dehalogenase Dmra From Mycobacterium Rhodesiae JS60


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Haloalkane Dehalogenase Dmra From Mycobacterium Rhodesiae JS60 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K402

b:21.9
occ:1.00
 O D:HOH645 2.5 25.5 1.0
O C:HOH586 2.5 25.1 1.0
O D:GLY182 2.7 15.1 1.0
O C:GLY182 2.7 13.3 1.0
O D:SER184 2.8 15.4 1.0
O C:SER184 2.8 14.2 1.0
C D:GLY182 3.5 15.4 1.0
C C:GLY182 3.6 14.1 1.0
O D:ASN181 3.7 14.6 1.0
C C:SER184 3.8 15.0 1.0
C D:SER184 3.8 16.0 1.0
N D:SER184 4.0 13.3 1.0
O C:ASN181 4.0 13.7 1.0
N C:SER184 4.0 14.2 1.0
K D:K403 4.0 14.8 1.0
K C:K402 4.2 14.9 1.0
CA D:GLY182 4.2 16.0 1.0
N D:GLY183 4.3 13.9 1.0
N C:GLY183 4.3 12.2 1.0
CA C:GLY182 4.4 14.6 1.0
CA D:GLY183 4.5 13.7 1.0
C C:GLY183 4.5 14.2 1.0
CA C:GLY183 4.5 12.3 1.0
C D:GLY183 4.5 12.8 1.0
N C:LEU185 4.5 16.9 1.0
CA D:SER184 4.5 14.4 1.0
CA C:SER184 4.6 14.7 1.0
N D:LEU185 4.6 16.6 1.0
CA C:LEU185 4.7 18.6 1.0
C D:ASN181 4.8 14.4 1.0
CA D:LEU185 4.8 16.7 1.0
CD2 C:LEU185 4.8 21.0 1.0
C C:ASN181 5.0 13.8 1.0

Potassium binding site 6 out of 6 in 4mj3

Go back to Potassium Binding Sites List in 4mj3
Potassium binding site 6 out of 6 in the Haloalkane Dehalogenase Dmra From Mycobacterium Rhodesiae JS60


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Haloalkane Dehalogenase Dmra From Mycobacterium Rhodesiae JS60 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K403

b:14.8
occ:1.00
 O D:ASN181 2.7 14.6 1.0
O D:SER186 2.7 14.7 1.0
O D:HOH525 2.7 18.3 1.0
O C:GLY182 2.7 13.3 1.0
O D:SER184 2.8 15.4 1.0
OD1 D:ASN181 2.8 15.7 1.0
CG D:ASN181 3.4 18.5 1.0
C C:GLY182 3.6 14.1 1.0
C D:ASN181 3.7 14.4 1.0
C D:SER184 3.7 16.0 1.0
C D:SER186 3.7 17.0 1.0
ND2 D:ASN181 3.9 18.5 1.0
CA C:GLY182 4.0 14.6 1.0
K D:K402 4.0 21.9 1.0
O D:LEU185 4.1 20.0 1.0
C D:LEU185 4.2 17.7 1.0
CA D:THR187 4.2 16.0 1.0
CA D:ASN181 4.2 14.5 1.0
N D:THR187 4.3 16.8 1.0
CB D:SER184 4.3 14.5 1.0
CB D:ASN181 4.4 16.1 1.0
CA D:SER184 4.5 14.4 1.0
N D:SER186 4.5 17.0 1.0
O C:HOH586 4.5 25.1 1.0
N D:LEU185 4.6 16.6 1.0
N D:SER184 4.6 13.3 1.0
CA D:LEU185 4.6 16.7 1.0
N D:GLY182 4.8 16.0 1.0
CA D:SER186 4.8 18.9 1.0
O C:HOH618 4.8 22.3 1.0
N C:GLY183 4.8 12.2 1.0
N D:LEU188 4.8 16.3 1.0
OG1 D:THR187 4.9 16.3 1.0

Reference:

H.K.H.Fung, M.S.Gadd, T.A.Drury, S.Cheung, J.M.Guss, N.V.Coleman, J.M.Matthews. Haloalkane Dehalogenases From Mycobacterium Rhodesiae JS60 To Be Published.
Page generated: Mon Aug 12 11:34:35 2024

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