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Potassium in PDB 1jwv: Crystal Structure of G238A Mutant of Tem-1 Beta-Lactamase in Complex with A Boronic Acid Inhibitor (SEFB4)

Enzymatic activity of Crystal Structure of G238A Mutant of Tem-1 Beta-Lactamase in Complex with A Boronic Acid Inhibitor (SEFB4)

All present enzymatic activity of Crystal Structure of G238A Mutant of Tem-1 Beta-Lactamase in Complex with A Boronic Acid Inhibitor (SEFB4):
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of G238A Mutant of Tem-1 Beta-Lactamase in Complex with A Boronic Acid Inhibitor (SEFB4), PDB code: 1jwv was solved by X.Wang, G.Minasov, B.K.Shoichet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.00 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 41.365, 61.665, 89.401, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 20.3

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of G238A Mutant of Tem-1 Beta-Lactamase in Complex with A Boronic Acid Inhibitor (SEFB4) (pdb code 1jwv). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 5 binding sites of Potassium where determined in the Crystal Structure of G238A Mutant of Tem-1 Beta-Lactamase in Complex with A Boronic Acid Inhibitor (SEFB4), PDB code: 1jwv:
Jump to Potassium binding site number: 1; 2; 3; 4; 5;

Potassium binding site 1 out of 5 in 1jwv

Go back to Potassium Binding Sites List in 1jwv
Potassium binding site 1 out of 5 in the Crystal Structure of G238A Mutant of Tem-1 Beta-Lactamase in Complex with A Boronic Acid Inhibitor (SEFB4)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of G238A Mutant of Tem-1 Beta-Lactamase in Complex with A Boronic Acid Inhibitor (SEFB4) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1

b:25.0
occ:1.00
 O A:HOH574 2.6 30.5 1.0
O A:LEU113 2.7 11.1 1.0
O A:TYR97 2.8 11.0 1.0
O A:HOH573 2.9 29.3 1.0
O A:HOH535 2.9 21.4 1.0
O A:HOH348 3.8 21.7 1.0
O A:HOH544 3.8 30.0 1.0
C A:LEU113 3.8 10.9 1.0
C A:TYR97 4.0 11.6 1.0
OG A:SER98 4.2 6.8 0.6
O A:THR114 4.4 11.6 1.0
CA A:SER98 4.5 10.0 1.0
O A:HOH437 4.6 17.9 1.0
CA A:THR114 4.6 12.1 1.0
CA A:LEU113 4.7 10.7 1.0
N A:THR114 4.7 11.1 1.0
N A:SER98 4.7 10.3 1.0
N A:TYR97 4.7 11.0 1.0
C A:THR114 4.8 12.3 1.0
CB A:SER98 4.8 8.6 1.0
CB A:LEU113 4.9 9.9 1.0
CA A:TYR97 5.0 10.2 1.0

Potassium binding site 2 out of 5 in 1jwv

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Potassium binding site 2 out of 5 in the Crystal Structure of G238A Mutant of Tem-1 Beta-Lactamase in Complex with A Boronic Acid Inhibitor (SEFB4)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of G238A Mutant of Tem-1 Beta-Lactamase in Complex with A Boronic Acid Inhibitor (SEFB4) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K2

b:33.0
occ:1.00
 OE1 A:GLU58 2.7 16.6 1.0
O A:HOH402 2.9 11.2 0.6
O A:LEU57 3.0 12.0 1.0
O A:HOH542 3.1 24.1 1.0
O A:HOH374 3.4 24.2 1.0
CD A:GLU58 3.6 16.0 1.0
OE2 A:GLU58 3.9 16.6 1.0
C A:LEU57 4.0 10.9 1.0
O A:HOH336 4.2 15.1 1.0
CA A:GLU58 4.3 8.2 1.0
N A:GLU58 4.5 9.2 1.0
O A:HOH402 4.7 12.2 0.4
CG A:GLU58 4.7 16.0 1.0
K A:K3 4.8 25.9 0.5
CB A:GLU58 5.0 10.6 1.0

Potassium binding site 3 out of 5 in 1jwv

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Potassium binding site 3 out of 5 in the Crystal Structure of G238A Mutant of Tem-1 Beta-Lactamase in Complex with A Boronic Acid Inhibitor (SEFB4)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of G238A Mutant of Tem-1 Beta-Lactamase in Complex with A Boronic Acid Inhibitor (SEFB4) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K3

b:25.9
occ:0.50
 O A:HOH402 2.5 11.2 0.6
O A:HOH402 2.5 12.2 0.4
O A:HOH464 2.8 21.6 1.0
O A:HOH314 3.0 11.0 1.0
O A:HOH594 3.0 39.2 1.0
O A:LEU57 3.1 12.0 1.0
O A:HOH374 3.5 24.2 1.0
OE2 A:GLU58 3.6 16.6 1.0
N A:HIS26 3.7 7.4 1.0
C A:LEU57 3.9 10.9 1.0
CB A:LEU57 4.0 8.8 1.0
CA A:LEU57 4.2 8.1 1.0
CD A:GLU58 4.5 16.0 1.0
CA A:HIS26 4.5 10.2 1.0
CD2 A:LEU57 4.6 10.3 1.0
O A:HOH410 4.8 21.1 1.0
K A:K2 4.8 33.0 1.0
CG A:LEU57 4.9 9.6 1.0
O A:HOH487 4.9 29.9 1.0
O A:HOH542 5.0 24.1 1.0

Potassium binding site 4 out of 5 in 1jwv

Go back to Potassium Binding Sites List in 1jwv
Potassium binding site 4 out of 5 in the Crystal Structure of G238A Mutant of Tem-1 Beta-Lactamase in Complex with A Boronic Acid Inhibitor (SEFB4)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of G238A Mutant of Tem-1 Beta-Lactamase in Complex with A Boronic Acid Inhibitor (SEFB4) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K4

b:22.1
occ:0.50
 O A:HOH322 2.9 12.1 1.0
O A:HOH338 2.9 11.1 1.0
OG1 A:THR114 3.2 14.0 1.0
N A:THR114 3.2 11.1 1.0
O A:LYS111 3.3 12.1 1.0
CB A:THR114 3.4 12.0 1.0
N A:LEU113 3.4 10.1 1.0
O A:HOH353 3.5 21.6 1.0
O A:HOH415 3.7 23.3 1.0
CA A:HIS112 3.7 11.3 1.0
C A:HIS112 3.8 11.0 1.0
O A:HOH592 3.8 29.6 1.0
C A:LYS111 3.9 12.1 1.0
CA A:THR114 3.9 12.1 1.0
N A:HIS112 4.1 11.9 1.0
C A:LEU113 4.2 10.9 1.0
CA A:LEU113 4.2 10.7 1.0
O A:HOH454 4.5 21.9 1.0
CB A:LEU113 4.5 9.9 1.0
O A:HOH531 4.6 30.3 1.0
O A:HIS112 4.6 10.2 1.0
N A:ASP115 4.7 9.2 1.0
CG2 A:THR114 4.8 15.3 1.0
C A:THR114 4.9 12.3 1.0
CA A:LYS111 5.0 12.3 1.0

Potassium binding site 5 out of 5 in 1jwv

Go back to Potassium Binding Sites List in 1jwv
Potassium binding site 5 out of 5 in the Crystal Structure of G238A Mutant of Tem-1 Beta-Lactamase in Complex with A Boronic Acid Inhibitor (SEFB4)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Crystal Structure of G238A Mutant of Tem-1 Beta-Lactamase in Complex with A Boronic Acid Inhibitor (SEFB4) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K5

b:23.1
occ:0.50
 O A:HOH301 2.3 12.7 0.5
O A:HOH666 2.7 39.4 1.0
O A:HOH391 2.8 15.6 1.0
O A:HOH388 2.8 18.4 1.0
OE2 A:GLU240 3.8 17.2 1.0
O A:HOH528 4.4 33.9 1.0
N A:ARG241 4.4 9.9 1.0
N18 A:CB4300 4.5 13.5 1.0
O A:HOH618 4.8 35.1 1.0
CA A:GLU240 4.9 8.4 1.0

Reference:

X.Wang, G.Minasov, B.K.Shoichet. Evolution of An Antibiotic Resistance Enzyme Constrained By Stability and Activity Trade-Offs. J.Mol.Biol. V. 320 85 2002.
ISSN: ISSN 0022-2836
PubMed: 12079336
DOI: 10.1016/S0022-2836(02)00400-X
Page generated: Mon Aug 12 04:41:07 2024

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