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Chlorine in PDB 3fyu: Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate

Enzymatic activity of Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate

All present enzymatic activity of Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate:
3.1.1.6;

Protein crystallography data

The structure of Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate, PDB code: 3fyu was solved by I.Krastanova, A.Cassetta, D.Lamba, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.88 / 2.62
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 142.225, 86.622, 183.973, 90.00, 112.78, 90.00
R / Rfree (%) 19.6 / 23

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate (pdb code 3fyu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 18 binding sites of Chlorine where determined in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate, PDB code: 3fyu:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 18 in 3fyu

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Chlorine binding site 1 out of 18 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl322

b:17.9
occ:1.00
 O A:HOH346 3.0 5.0 1.0
CA A:GLY141 3.2 7.7 1.0
O A:HOH325 3.3 5.0 1.0
C A:GLY141 3.4 8.2 1.0
N A:LEU143 3.5 9.9 1.0
N A:ILE142 3.6 8.4 1.0
CB A:PRO130 3.6 8.7 1.0
N A:GLY141 3.7 8.2 1.0
CB A:LEU143 3.8 8.6 1.0
CG A:PRO130 3.9 11.1 1.0
CG A:LEU143 4.0 10.6 1.0
O A:GLY141 4.1 10.1 1.0
CD A:PRO130 4.2 10.9 1.0
CA A:LEU143 4.2 10.1 1.0
N A:GLY131 4.2 9.9 1.0
CD1 A:LEU143 4.5 8.1 1.0
C A:ILE142 4.5 9.8 1.0
CA A:ILE142 4.5 8.2 1.0
CA A:PRO130 4.6 11.2 1.0
OG1 A:THR147 4.7 12.0 1.0
C A:PRO130 4.8 10.7 1.0
N A:PRO130 4.9 12.3 1.0
CG2 A:ILE142 4.9 6.0 1.0
O A:THR139 4.9 10.3 1.0
CA A:GLY131 4.9 11.7 1.0
C A:LYS140 4.9 8.9 1.0
O A:GLY132 5.0 10.2 1.0

Chlorine binding site 2 out of 18 in 3fyu

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Chlorine binding site 2 out of 18 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl323

b:31.2
occ:1.00
 N A:HIS298 3.3 15.2 1.0
N A:LYS270 3.4 16.0 1.0
O A:ILE268 3.8 17.0 1.0
CB A:HIS298 3.8 13.4 1.0
CA A:ASP269 3.8 14.3 1.0
CA A:GLY297 3.9 13.8 1.0
C A:GLY297 4.1 15.1 1.0
C A:ASP269 4.1 14.5 1.0
CA A:HIS298 4.1 13.5 1.0
CB A:LYS270 4.4 21.4 1.0
CA A:LYS270 4.4 18.6 1.0
OD1 A:ASP269 4.4 13.2 1.0
CG A:LYS270 4.5 27.0 1.0
C A:ILE268 4.6 15.4 1.0
N A:ASP269 4.7 14.8 1.0
N A:ILE271 4.7 16.9 1.0
CG A:ASP269 4.7 12.8 1.0
O A:HIS298 4.8 12.1 1.0
C A:HIS298 4.8 13.2 1.0
CB A:ASP269 4.8 13.9 1.0
CG1 A:ILE271 4.8 13.4 1.0

Chlorine binding site 3 out of 18 in 3fyu

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Chlorine binding site 3 out of 18 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl323

b:22.2
occ:1.00
 O B:HOH341 3.1 8.1 1.0
O B:HOH698 3.1 17.2 1.0
CA B:GLY141 3.3 14.2 1.0
N B:LEU143 3.4 14.4 1.0
C B:GLY141 3.4 14.7 1.0
N B:ILE142 3.5 13.9 1.0
CB B:LEU143 3.6 12.7 1.0
CB B:PRO130 3.7 12.2 1.0
N B:GLY141 3.8 14.1 1.0
CG B:LEU143 3.9 13.8 1.0
CA B:LEU143 4.1 14.5 1.0
CG B:PRO130 4.1 12.9 1.0
O B:GLY141 4.1 13.6 1.0
N B:GLY131 4.3 13.7 1.0
CD1 B:LEU143 4.4 10.1 1.0
C B:ILE142 4.4 14.0 1.0
CD B:PRO130 4.4 12.5 1.0
CA B:ILE142 4.5 13.0 1.0
OG1 B:THR147 4.7 10.4 1.0
CA B:PRO130 4.8 12.7 1.0
CG2 B:ILE142 4.8 9.9 1.0
C B:PRO130 4.9 13.3 1.0
C B:LEU143 4.9 15.3 1.0
CA B:GLY131 5.0 15.0 1.0
OH B:TYR228 5.0 15.8 1.0
O B:THR139 5.0 16.2 1.0

Chlorine binding site 4 out of 18 in 3fyu

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Chlorine binding site 4 out of 18 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl322

b:20.7
occ:1.00
 N C:LEU143 3.3 15.7 1.0
O C:HOH346 3.3 13.6 1.0
CA C:GLY141 3.4 12.3 1.0
O C:HOH345 3.4 10.8 1.0
CB C:LEU143 3.5 14.2 1.0
C C:GLY141 3.5 11.6 1.0
O C:HOH348 3.5 5.0 1.0
N C:ILE142 3.6 9.8 1.0
CB C:PRO130 3.7 18.6 1.0
CG C:LEU143 3.8 14.7 1.0
CA C:LEU143 4.0 15.7 1.0
N C:GLY141 4.0 12.4 1.0
O C:GLY141 4.1 13.0 1.0
CG C:PRO130 4.1 17.4 1.0
CD1 C:LEU143 4.2 11.7 1.0
C C:ILE142 4.4 13.3 1.0
N C:GLY131 4.4 16.5 1.0
CA C:ILE142 4.5 11.0 1.0
CD C:PRO130 4.5 18.0 1.0
OG1 C:THR147 4.7 12.3 1.0
C C:LEU143 4.8 16.6 1.0
CA C:PRO130 4.8 16.9 1.0
CG2 C:ILE142 4.9 5.9 1.0
C C:PRO130 4.9 17.2 1.0

Chlorine binding site 5 out of 18 in 3fyu

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Chlorine binding site 5 out of 18 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl323

b:41.7
occ:1.00
 N C:HIS298 3.3 13.5 1.0
N C:LYS270 3.4 19.9 1.0
CB C:HIS298 3.8 12.6 1.0
O C:ILE268 3.9 18.9 1.0
CA C:ASP269 3.9 19.7 1.0
CA C:GLY297 4.0 12.6 1.0
CA C:HIS298 4.1 12.0 1.0
C C:GLY297 4.2 12.4 1.0
C C:ASP269 4.2 20.5 1.0
OD1 C:ASP269 4.3 20.1 1.0
CB C:LYS270 4.4 21.0 1.0
CA C:LYS270 4.4 19.7 1.0
CG C:LYS270 4.5 26.1 1.0
N C:ILE271 4.6 15.9 1.0
CG C:ASP269 4.7 20.1 1.0
C C:ILE268 4.7 18.3 1.0
CG1 C:ILE271 4.8 15.6 1.0
N C:ASP269 4.8 19.8 1.0
O C:HIS298 4.8 8.1 1.0
C C:HIS298 4.8 10.8 1.0
CB C:ASP269 4.9 19.5 1.0
CD1 C:ILE271 5.0 14.3 1.0

Chlorine binding site 6 out of 18 in 3fyu

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Chlorine binding site 6 out of 18 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl323

b:21.0
occ:1.00
 O D:HOH462 3.2 28.5 1.0
CA D:GLY141 3.4 14.2 1.0
N D:LEU143 3.6 14.1 1.0
CB D:PRO130 3.6 12.9 1.0
C D:GLY141 3.6 14.7 1.0
CB D:LEU143 3.7 13.6 1.0
N D:ILE142 3.7 13.1 1.0
N D:GLY141 3.9 12.7 1.0
CG D:LEU143 3.9 15.6 1.0
CG D:PRO130 4.0 12.9 1.0
N D:GLY131 4.1 14.6 1.0
CA D:LEU143 4.2 14.2 1.0
CD D:PRO130 4.3 13.1 1.0
O D:GLY141 4.3 14.6 1.0
CD1 D:LEU143 4.3 12.6 1.0
C D:ILE142 4.6 12.9 1.0
CA D:PRO130 4.6 13.4 1.0
CA D:ILE142 4.7 11.8 1.0
C D:PRO130 4.7 14.0 1.0
OG1 D:THR147 4.8 16.3 1.0
CA D:GLY131 4.8 15.6 1.0
CG2 D:ILE142 4.9 5.4 1.0
N D:PRO130 4.9 14.2 1.0
O D:GLY132 5.0 18.9 1.0

Chlorine binding site 7 out of 18 in 3fyu

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Chlorine binding site 7 out of 18 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl323

b:20.2
occ:1.00
 O E:HOH367 3.1 5.0 1.0
O E:HOH352 3.2 8.6 1.0
O E:HOH332 3.2 5.0 1.0
CA E:GLY141 3.4 15.3 1.0
N E:LEU143 3.5 15.8 1.0
C E:GLY141 3.6 16.8 1.0
CB E:LEU143 3.7 15.8 1.0
CB E:PRO130 3.7 15.1 1.0
N E:ILE142 3.7 17.2 1.0
CG E:LEU143 3.9 16.9 1.0
N E:GLY141 3.9 15.1 1.0
CG E:PRO130 4.1 17.1 1.0
CA E:LEU143 4.2 16.7 1.0
O E:GLY141 4.2 19.0 1.0
N E:GLY131 4.2 14.9 1.0
CD1 E:LEU143 4.3 12.9 1.0
CD E:PRO130 4.3 17.8 1.0
C E:ILE142 4.5 16.4 1.0
CA E:ILE142 4.6 16.2 1.0
CA E:PRO130 4.7 15.8 1.0
C E:PRO130 4.7 15.5 1.0
OG1 E:THR147 4.8 12.6 1.0
O E:GLY132 4.9 14.1 1.0
CG2 E:ILE142 4.9 14.6 1.0
CA E:GLY131 4.9 15.6 1.0
OH E:TYR228 5.0 12.4 1.0
N E:PRO130 5.0 16.8 1.0

Chlorine binding site 8 out of 18 in 3fyu

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Chlorine binding site 8 out of 18 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl324

b:40.3
occ:1.00
 O E:HOH350 3.0 6.8 1.0
N E:HIS298 3.4 13.1 1.0
N E:LYS270 3.5 16.5 1.0
CB E:HIS298 3.8 13.7 1.0
O E:ILE268 3.9 16.1 1.0
CA E:ASP269 4.0 16.9 1.0
CA E:GLY297 4.1 10.7 1.0
CA E:HIS298 4.2 14.2 1.0
C E:GLY297 4.2 12.7 1.0
C E:ASP269 4.3 16.6 1.0
CB E:LYS270 4.3 21.7 1.0
CA E:LYS270 4.4 18.1 1.0
OD1 E:ASP269 4.5 15.0 1.0
CG E:LYS270 4.5 26.3 1.0
N E:ILE271 4.7 15.7 1.0
C E:ILE268 4.8 16.3 1.0
O E:HIS298 4.8 15.0 1.0
CG1 E:ILE271 4.8 12.2 1.0
CG E:ASP269 4.8 16.9 1.0
C E:HIS298 4.8 14.8 1.0
N E:ASP269 4.9 17.3 1.0
CD1 E:ILE271 5.0 11.2 1.0
CE E:LYS270 5.0 34.7 1.0
CB E:ASP269 5.0 15.9 1.0

Chlorine binding site 9 out of 18 in 3fyu

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Chlorine binding site 9 out of 18 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl324

b:25.6
occ:1.00
 O F:HOH510 2.9 7.6 1.0
O F:HOH345 3.1 5.0 1.0
O F:HOH367 3.1 7.2 1.0
N F:LEU143 3.3 13.8 1.0
CA F:GLY141 3.3 14.4 1.0
C F:GLY141 3.4 15.3 1.0
N F:ILE142 3.5 14.1 1.0
CB F:LEU143 3.6 12.6 1.0
CB F:PRO130 3.7 17.0 1.0
CG F:LEU143 3.8 13.1 1.0
N F:GLY141 3.8 15.8 1.0
CA F:LEU143 4.0 13.8 1.0
O F:GLY141 4.1 17.4 1.0
CG F:PRO130 4.1 16.1 1.0
CD1 F:LEU143 4.3 14.7 1.0
C F:ILE142 4.3 13.1 1.0
N F:GLY131 4.4 17.6 1.0
CA F:ILE142 4.4 12.9 1.0
CD F:PRO130 4.5 16.9 1.0
OG1 F:THR147 4.7 14.6 1.0
CG2 F:ILE142 4.7 12.8 1.0
CA F:PRO130 4.8 17.8 1.0
C F:LEU143 4.9 14.2 1.0
C F:PRO130 4.9 18.6 1.0
O F:THR139 5.0 10.4 1.0
OH F:TYR228 5.0 9.8 1.0

Chlorine binding site 10 out of 18 in 3fyu

Go back to Chlorine Binding Sites List in 3fyu
Chlorine binding site 10 out of 18 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus Obtained in Presence of D-Xylose and Sodium Acetate within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl323

b:30.7
occ:1.00
 O G:HOH406 2.7 12.4 1.0
O G:HOH326 3.3 5.0 1.0
CB G:LEU143 3.4 15.5 1.0
CB G:PRO130 3.5 19.4 1.0
N G:LEU143 3.5 17.6 1.0
CA G:GLY141 3.5 20.3 1.0
CG G:LEU143 3.7 15.2 1.0
C G:GLY141 3.8 20.3 1.0
N G:ILE142 3.9 19.7 1.0
CD1 G:LEU143 3.9 10.3 1.0
CG G:PRO130 4.0 20.1 1.0
CA G:LEU143 4.1 17.6 1.0
N G:GLY141 4.1 20.4 1.0
N G:GLY131 4.2 21.5 1.0
O G:GLY141 4.4 22.7 1.0
CD G:PRO130 4.5 20.2 1.0
C G:ILE142 4.6 19.5 1.0
CA G:PRO130 4.6 20.6 1.0
C G:PRO130 4.7 20.7 1.0
CA G:ILE142 4.8 19.3 1.0
CA G:GLY131 4.8 22.2 1.0
O G:GLY132 4.8 19.4 1.0
C G:LEU143 4.9 18.1 1.0
OG1 G:THR147 4.9 15.2 1.0
OH G:TYR228 5.0 16.4 1.0

Reference:

I.Krastanova, A.Cassetta, M.Mastihubova, P.Biely, D.Lamba. Structural and Functional Studies of Bacillus Pumilus Acetyl Xylan Esterase To Be Published.
Page generated: Fri Jul 11 05:19:28 2025

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