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Xenon in PDB 5hw5: Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon

Enzymatic activity of Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon

All present enzymatic activity of Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon, PDB code: 5hw5 was solved by B.W.Roose, I.J.Dmochowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.66 / 1.41
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 60.440, 84.620, 96.011, 90.00, 90.58, 90.00
R / Rfree (%) 18.4 / 22.1

Xenon Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Xenon atom in the Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon (pdb code 5hw5). This binding sites where shown within 5.0 Angstroms radius around Xenon atom.
In total 13 binding sites of Xenon where determined in the Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon, PDB code: 5hw5:
Jump to Xenon binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Xenon binding site 1 out of 13 in 5hw5

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Xenon binding site 1 out of 13 in the Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 1 of Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Xe301

b:13.1
occ:0.58
 CG1 A:ILE279 3.7 13.3 1.0
CD1 A:LEU40 4.0 9.9 1.0
CB A:GLN278 4.0 10.0 1.0
CG1 A:VAL44 4.0 8.6 1.0
CG2 A:VAL44 4.0 11.7 1.0
CD1 A:ILE282 4.0 10.7 1.0
CG2 A:ILE263 4.1 9.2 1.0
CG2 A:THR265 4.1 8.0 1.0
CB A:THR265 4.2 7.0 1.0
N A:ILE279 4.4 11.9 1.0
CB A:ALA36 4.5 7.9 1.0
C A:GLN278 4.6 11.9 1.0
CD1 A:ILE279 4.6 15.5 1.0
CA A:ILE279 4.6 10.2 1.0
CB A:VAL44 4.6 13.2 1.0
O A:ARG275 4.8 10.0 1.0
CB A:ILE279 4.8 11.0 1.0
OG1 A:THR265 4.9 9.3 1.0
O A:GLN278 4.9 14.6 1.0
CA A:GLN278 4.9 14.0 1.0
CG A:GLN278 5.0 17.9 1.0

Xenon binding site 2 out of 13 in 5hw5

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Xenon binding site 2 out of 13 in the Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 2 of Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Xe302

b:18.9
occ:0.24
 CD1 A:ILE208 3.2 13.2 1.0
CD2 A:LEU51 3.3 29.8 1.0
CG A:PRO257 3.5 13.1 1.0
CD1 A:LEU194 3.8 16.0 1.0
CB A:ALA249 3.8 8.9 1.0
CB A:PRO257 3.9 13.6 1.0
CB A:LEU194 4.1 10.9 1.0
CG2 A:THR195 4.1 17.4 1.0
CG1 A:ILE208 4.2 10.3 1.0
O A:HOH444 4.2 19.6 1.0
CG A:LEU194 4.5 11.4 1.0
CG A:LEU51 4.6 29.6 1.0
CD A:PRO257 5.0 14.8 1.0
CD1 A:LEU51 5.0 26.4 1.0

Xenon binding site 3 out of 13 in 5hw5

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Xenon binding site 3 out of 13 in the Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 3 of Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Xe303

b:17.7
occ:0.10
 O A:LEU221 3.3 9.9 1.0
CG1 A:ILE287 3.4 17.5 1.0
CD1 A:ILE287 3.5 23.6 1.0
CD1 A:LEU250 3.6 18.7 1.0
CB A:LEU221 3.8 9.9 1.0
O A:GLY283 3.9 14.7 1.0
CD2 A:LEU221 3.9 10.2 1.0
C A:LEU221 3.9 9.6 1.0
CA A:LEU221 4.1 6.8 1.0
CA A:GLY283 4.1 11.2 1.0
CB A:ALA224 4.1 14.1 1.0
C A:GLY283 4.2 13.3 1.0
CD1 A:LEU225 4.2 21.7 1.0
CD2 A:LEU286 4.4 21.2 1.0
CG A:LEU221 4.4 12.7 1.0
N A:LEU225 4.5 11.9 1.0
C A:ALA224 4.5 11.1 1.0
CA A:LEU225 4.6 12.8 1.0
O A:ALA224 4.8 14.5 1.0
CB A:LEU225 4.8 13.9 1.0
CA A:ALA224 4.8 14.7 1.0
CB A:ILE287 4.8 14.8 1.0
CD1 A:LEU221 4.9 9.4 1.0

Xenon binding site 4 out of 13 in 5hw5

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Xenon binding site 4 out of 13 in the Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 4 of Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Xe301

b:13.5
occ:0.71
 CG1 B:ILE279 3.8 9.9 1.0
CG1 B:VAL44 3.9 10.9 1.0
CD1 B:LEU40 4.0 10.5 1.0
CG2 B:ILE263 4.0 8.6 1.0
CG2 B:THR265 4.0 6.9 1.0
CD1 B:ILE282 4.0 9.1 1.0
CB B:GLN278 4.1 7.3 1.0
CG2 B:VAL44 4.1 7.7 1.0
CB B:THR265 4.1 8.6 1.0
N B:ILE279 4.4 6.9 1.0
CB B:ALA36 4.5 7.7 1.0
C B:GLN278 4.6 8.4 1.0
CB B:VAL44 4.7 14.0 1.0
CA B:ILE279 4.7 8.4 1.0
CD1 B:ILE279 4.7 10.4 1.0
OG1 B:THR265 4.8 9.1 1.0
O B:ARG275 4.8 8.0 1.0
CB B:ILE279 4.9 5.8 1.0
O B:GLN278 5.0 10.6 1.0

Xenon binding site 5 out of 13 in 5hw5

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Xenon binding site 5 out of 13 in the Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 5 of Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Xe302

b:18.6
occ:0.13
 CD1 B:ILE208 3.2 12.6 1.0
CD2 B:LEU51 3.4 17.6 1.0
CG B:PRO257 3.6 9.6 1.0
CD1 B:LEU194 3.8 10.4 1.0
CB B:ALA249 3.9 8.1 1.0
CB B:LEU194 3.9 11.3 1.0
CB B:PRO257 4.0 12.3 1.0
CG2 B:THR195 4.0 11.1 1.0
CG1 B:ILE208 4.2 7.9 1.0
CD1 B:LEU51 4.3 13.2 1.0
CG B:LEU51 4.4 16.7 1.0
O B:HOH411 4.4 19.1 1.0
CG B:LEU194 4.5 9.4 1.0
O B:LEU194 5.0 10.0 1.0

Xenon binding site 6 out of 13 in 5hw5

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Xenon binding site 6 out of 13 in the Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 6 of Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Xe303

b:12.6
occ:0.09
 O B:LEU221 3.2 6.7 1.0
CG1 B:ILE287 3.5 19.9 1.0
CD1 B:ILE287 3.5 17.9 1.0
CD1 B:LEU250 3.6 9.9 1.0
O B:GLY283 3.8 9.7 1.0
CB B:LEU221 3.9 7.0 1.0
CA B:GLY283 3.9 6.8 1.0
C B:LEU221 3.9 12.3 1.0
CB B:ALA224 4.0 13.3 1.0
CD1 B:LEU225 4.0 20.4 1.0
CD2 B:LEU221 4.0 9.7 1.0
CA B:LEU221 4.1 6.1 1.0
C B:GLY283 4.1 10.2 1.0
CD2 B:LEU286 4.2 9.9 1.0
CG B:LEU221 4.4 6.0 1.0
C B:ALA224 4.4 8.8 1.0
N B:LEU225 4.6 12.0 1.0
CA B:ALA224 4.7 10.6 1.0
O B:ALA224 4.7 15.4 1.0
CA B:LEU225 4.8 15.3 1.0
CD1 B:LEU221 4.9 9.0 1.0
CB B:ILE287 5.0 12.9 1.0
CB B:LEU225 5.0 17.6 1.0

Xenon binding site 7 out of 13 in 5hw5

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Xenon binding site 7 out of 13 in the Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 7 of Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Xe304

b:20.1
occ:0.36
 OE2 B:GLU28 3.4 27.6 1.0
CD B:GLU28 3.7 22.7 1.0
CG2 B:VAL31 3.8 15.0 1.0
N B:GLU28 4.0 13.2 1.0
CB B:PRO27 4.0 13.1 1.0
C B:PRO27 4.0 13.1 1.0
O B:PRO27 4.2 13.7 1.0
CA B:GLU28 4.2 15.4 1.0
OE1 B:GLU28 4.2 28.9 1.0
CG B:GLU28 4.3 18.7 1.0
CA B:PRO27 4.7 15.7 1.0
CB B:VAL31 4.8 16.3 1.0
CB B:GLU28 4.8 13.2 1.0
O B:HOH566 5.0 22.8 1.0

Xenon binding site 8 out of 13 in 5hw5

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Xenon binding site 8 out of 13 in the Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 8 of Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Xe301

b:12.0
occ:0.56
 CG1 C:ILE279 3.7 10.3 1.0
CG2 C:THR265 3.9 6.4 1.0
CD1 C:LEU40 3.9 10.6 1.0
CB C:GLN278 4.0 11.1 1.0
CG1 C:VAL44 4.0 7.5 1.0
CG2 C:VAL44 4.0 6.9 1.0
CG2 C:ILE263 4.1 7.2 1.0
CD1 C:ILE282 4.1 8.9 1.0
CB C:THR265 4.1 6.7 1.0
N C:ILE279 4.2 9.4 1.0
C C:GLN278 4.5 10.5 1.0
CA C:ILE279 4.5 7.4 1.0
CB C:VAL44 4.6 9.0 1.0
O C:ARG275 4.6 9.8 1.0
CD1 C:ILE279 4.6 10.9 1.0
CB C:ALA36 4.7 8.7 1.0
CB C:ILE279 4.8 8.7 1.0
O C:GLN278 4.8 13.8 1.0
OG1 C:THR265 4.9 9.2 1.0
CA C:GLN278 4.9 11.6 1.0
CG C:GLN278 5.0 13.1 1.0

Xenon binding site 9 out of 13 in 5hw5

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Xenon binding site 9 out of 13 in the Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 9 of Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Xe302

b:14.8
occ:0.13
 CG1 C:ILE287 3.3 18.2 1.0
CD1 C:ILE287 3.4 15.6 1.0
O C:LEU221 3.4 8.7 1.0
CD1 C:LEU250 3.5 11.5 1.0
CD1 C:LEU225 3.7 20.9 1.0
O C:GLY283 3.8 11.8 1.0
CD2 C:LEU221 4.0 7.7 1.0
CB C:LEU221 4.1 6.6 1.0
CA C:GLY283 4.1 9.3 1.0
C C:LEU221 4.1 5.9 1.0
C C:GLY283 4.2 10.4 1.0
CD1 C:LEU286 4.2 15.8 1.0
CA C:LEU221 4.3 5.4 1.0
CB C:ALA224 4.3 9.4 1.0
C C:ALA224 4.5 16.7 1.0
N C:LEU225 4.5 13.0 1.0
CG C:LEU221 4.6 8.4 1.0
O C:ALA224 4.7 13.8 1.0
CA C:LEU225 4.7 10.9 1.0
CB C:ILE287 4.8 16.3 1.0
CA C:ALA224 4.9 9.6 1.0
CG C:LEU225 4.9 23.7 1.0
CG C:LEU286 4.9 13.0 1.0
CB C:LEU225 5.0 18.2 1.0

Xenon binding site 10 out of 13 in 5hw5

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Xenon binding site 10 out of 13 in the Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 10 of Crystal Structure of TEM1 Beta-Lactamase in the Presence of 2.0 Mpa Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Xe303

b:23.4
occ:0.20
 CD1 C:ILE208 3.3 17.1 1.0
CD2 C:LEU51 3.3 22.3 1.0
CG C:PRO257 3.6 11.5 1.0
CD1 C:LEU194 3.8 9.4 1.0
CB C:PRO257 3.9 11.7 1.0
CB C:ALA249 3.9 9.0 1.0
CB C:LEU194 4.0 8.4 1.0
CG1 C:ILE208 4.1 11.4 1.0
CD1 C:LEU51 4.2 20.7 1.0
O C:HOH477 4.2 22.4 1.0
CG2 C:THR195 4.2 13.1 1.0
CG C:LEU51 4.3 20.2 1.0
CG C:LEU194 4.5 7.9 1.0
O C:HOH614 4.9 24.4 1.0
CB C:ILE208 5.0 9.3 1.0

Reference:

B.W.Roose, Y.Wang, I.J.Dmochowski. Structure of TEM1 Beta-Lactamase To Be Published.
Page generated: Sat Oct 12 19:34:29 2024

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