Atomistry » Chlorine » PDB 3fpl-3fzl » 3fvt
Atomistry »
  Chlorine »
    PDB 3fpl-3fzl »
      3fvt »

Chlorine in PDB 3fvt: Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus, Monoclinic Crystal Form II

Enzymatic activity of Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus, Monoclinic Crystal Form II

All present enzymatic activity of Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus, Monoclinic Crystal Form II:
3.1.1.6;

Protein crystallography data

The structure of Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus, Monoclinic Crystal Form II, PDB code: 3fvt 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) 29.74 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 144.039, 87.205, 184.825, 90.00, 112.87, 90.00
R / Rfree (%) 21.1 / 26.4

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus, Monoclinic Crystal Form II (pdb code 3fvt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 24 binding sites of Chlorine where determined in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus, Monoclinic Crystal Form II, PDB code: 3fvt:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 24 in 3fvt

Go back to Chlorine Binding Sites List in 3fvt
Chlorine binding site 1 out of 24 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus, Monoclinic Crystal Form II


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, Monoclinic Crystal Form II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl321

b:34.7
occ:1.00
 O A:HOH2283 3.0 25.0 1.0
N A:HIS298 3.4 13.4 1.0
N A:LYS270 3.6 12.3 1.0
NZ A:LYS270 3.7 34.1 1.0
CB A:HIS298 3.7 14.0 1.0
CE A:LYS270 3.9 31.0 1.0
CA A:ASP269 4.1 11.2 1.0
O A:ILE268 4.1 12.8 1.0
CA A:GLY297 4.1 13.6 1.0
CA A:HIS298 4.1 12.4 1.0
C A:GLY297 4.2 12.8 1.0
C A:ASP269 4.4 12.6 1.0
OD1 A:ASP269 4.4 14.8 1.0
CB A:LYS270 4.4 17.8 1.0
CD1 A:ILE271 4.5 18.3 1.0
CG1 A:ILE271 4.5 15.6 1.0
CA A:LYS270 4.6 10.5 1.0
O A:HIS298 4.6 10.8 1.0
CG A:LYS270 4.6 21.4 1.0
N A:ILE271 4.7 14.7 1.0
C A:HIS298 4.8 12.9 1.0
CG A:ASP269 4.8 12.5 1.0
C A:ILE268 4.9 13.8 1.0
CD A:LYS270 4.9 26.2 1.0
N A:ASP269 4.9 13.6 1.0
CB A:ASP269 5.0 9.9 1.0

Chlorine binding site 2 out of 24 in 3fvt

Go back to Chlorine Binding Sites List in 3fvt
Chlorine binding site 2 out of 24 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus, Monoclinic Crystal Form II


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, Monoclinic Crystal Form II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl322

b:20.7
occ:1.00
 O A:HOH777 3.0 26.1 1.0
O A:HOH1139 3.1 16.5 1.0
O A:HOH324 3.2 11.2 1.0
O A:HOH342 3.2 11.2 1.0
CA A:GLY141 3.4 13.9 1.0
N A:LEU143 3.4 13.7 1.0
C A:GLY141 3.6 11.5 1.0
N A:ILE142 3.6 13.3 1.0
CB A:LEU143 3.6 13.7 1.0
CG A:LEU143 3.7 17.2 1.0
N A:GLY141 3.9 14.2 1.0
CA A:LEU143 4.1 16.3 1.0
CD1 A:LEU143 4.2 15.7 1.0
CB A:PRO130 4.2 16.9 1.0
O A:GLY141 4.2 15.0 1.0
N A:GLY131 4.3 15.3 1.0
CG A:PRO130 4.3 18.9 1.0
CD A:PRO130 4.4 16.7 1.0
C A:ILE142 4.4 15.6 1.0
O A:HOH1936 4.5 40.6 1.0
CA A:ILE142 4.5 13.3 1.0
CG2 A:ILE142 4.7 11.6 1.0
CA A:GLY131 4.8 14.2 1.0
C A:PRO130 4.9 16.1 1.0
OG1 A:THR147 4.9 14.1 1.0
O A:THR139 4.9 13.7 1.0
O A:GLY132 5.0 17.1 1.0
CA A:PRO130 5.0 14.9 1.0

Chlorine binding site 3 out of 24 in 3fvt

Go back to Chlorine Binding Sites List in 3fvt
Chlorine binding site 3 out of 24 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus, Monoclinic Crystal Form II


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, Monoclinic Crystal Form II within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl321

b:18.1
occ:1.00
 O B:HOH342 3.0 15.2 1.0
O B:HOH819 3.2 15.1 1.0
O B:HOH366 3.2 18.0 1.0
CA B:GLY141 3.4 16.6 1.0
O B:HOH2022 3.5 36.0 1.0
N B:LEU143 3.5 15.7 1.0
C B:GLY141 3.6 16.0 1.0
N B:ILE142 3.7 14.4 1.0
CB B:LEU143 3.7 14.9 1.0
CG B:LEU143 3.8 18.5 1.0
N B:GLY141 3.9 16.0 1.0
CB B:PRO130 4.0 16.7 1.0
O B:GLY141 4.2 14.4 1.0
CA B:LEU143 4.2 17.0 1.0
CD1 B:LEU143 4.2 19.6 1.0
CG B:PRO130 4.3 23.3 1.0
N B:GLY131 4.4 15.8 1.0
CD B:PRO130 4.4 18.9 1.0
C B:ILE142 4.5 15.1 1.0
CA B:ILE142 4.6 10.2 1.0
C B:PRO130 4.9 14.4 1.0
CA B:GLY131 4.9 13.8 1.0
CG2 B:ILE142 4.9 11.3 1.0
O B:HOH1236 4.9 27.0 1.0
O B:GLY132 4.9 19.7 1.0
CA B:PRO130 4.9 17.4 1.0
OG1 B:THR147 5.0 16.4 1.0
OH B:TYR228 5.0 19.1 1.0

Chlorine binding site 4 out of 24 in 3fvt

Go back to Chlorine Binding Sites List in 3fvt
Chlorine binding site 4 out of 24 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus, Monoclinic Crystal Form II


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, Monoclinic Crystal Form II within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl322

b:24.7
occ:1.00
 N B:LYS270 3.3 15.2 1.0
N B:HIS298 3.4 13.3 1.0
CB B:HIS298 3.7 16.1 1.0
OE2 B:GLU219 3.8 34.8 1.0
CA B:ASP269 3.8 13.5 1.0
O B:ILE268 3.9 11.7 1.0
C B:ASP269 4.1 14.6 1.0
CD B:LYS270 4.1 31.0 1.0
CA B:GLY297 4.1 12.6 1.0
CA B:HIS298 4.2 15.2 1.0
OD1 B:ASP269 4.2 14.1 1.0
C B:GLY297 4.2 10.1 1.0
CA B:LYS270 4.3 17.5 1.0
CB B:LYS270 4.4 20.1 1.0
N B:ILE271 4.5 15.8 1.0
CG B:ASP269 4.6 19.2 1.0
N B:ASP269 4.7 16.2 1.0
CG1 B:ILE271 4.7 14.8 1.0
C B:ILE268 4.7 13.8 1.0
CD1 B:ILE271 4.8 14.5 1.0
CB B:ASP269 4.8 13.6 1.0
CD B:GLU219 4.8 31.9 1.0
O B:HIS298 4.8 14.1 1.0
C B:HIS298 4.9 13.2 1.0
CG B:LYS270 4.9 22.5 1.0
C B:LYS270 4.9 17.7 1.0
O B:HOH1021 5.0 35.0 1.0

Chlorine binding site 5 out of 24 in 3fvt

Go back to Chlorine Binding Sites List in 3fvt
Chlorine binding site 5 out of 24 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus, Monoclinic Crystal Form II


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, Monoclinic Crystal Form II within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl321

b:27.2
occ:1.00
 N C:HIS298 3.3 14.1 1.0
N C:LYS270 3.5 16.4 1.0
CB C:HIS298 3.7 11.4 1.0
CA C:ASP269 3.9 14.4 1.0
O C:ILE268 3.9 15.7 1.0
CA C:GLY297 4.0 15.1 1.0
CA C:HIS298 4.1 14.0 1.0
C C:GLY297 4.1 16.0 1.0
C C:ASP269 4.2 16.2 1.0
OD1 C:ASP269 4.2 15.8 1.0
CB C:LYS270 4.4 22.4 1.0
CA C:LYS270 4.5 16.8 1.0
CG C:LYS270 4.5 24.7 1.0
O C:HOH3150 4.6 45.5 1.0
N C:ILE271 4.6 16.4 1.0
CG C:ASP269 4.7 17.2 1.0
C C:ILE268 4.7 13.7 1.0
CG1 C:ILE271 4.7 15.3 1.0
N C:ASP269 4.7 11.7 1.0
O C:HIS298 4.8 11.9 1.0
C C:HIS298 4.8 14.2 1.0
CB C:ASP269 4.9 13.6 1.0

Chlorine binding site 6 out of 24 in 3fvt

Go back to Chlorine Binding Sites List in 3fvt
Chlorine binding site 6 out of 24 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus, Monoclinic Crystal Form II


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, Monoclinic Crystal Form II within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl322

b:18.9
occ:1.00
 O C:HOH346 3.1 16.0 1.0
O C:HOH333 3.2 16.8 1.0
O C:HOH350 3.2 23.7 1.0
O C:HOH2547 3.4 28.3 1.0
CA C:GLY141 3.5 12.9 1.0
N C:LEU143 3.6 16.5 1.0
C C:GLY141 3.6 10.4 1.0
CB C:LEU143 3.7 16.7 1.0
N C:ILE142 3.7 12.2 1.0
CG C:LEU143 3.8 18.3 1.0
N C:GLY141 4.0 11.1 1.0
CD1 C:LEU143 4.0 21.6 1.0
CB C:PRO130 4.1 17.3 1.0
O C:GLY141 4.2 9.7 1.0
CA C:LEU143 4.2 17.2 1.0
CG C:PRO130 4.4 17.5 1.0
N C:GLY131 4.5 18.5 1.0
C C:ILE142 4.6 17.1 1.0
CD C:PRO130 4.6 18.0 1.0
CA C:ILE142 4.6 13.7 1.0
O C:GLY132 4.9 14.2 1.0
O C:HOH759 4.9 30.6 1.0
O C:HOH1557 4.9 32.2 1.0
OG1 C:THR147 4.9 18.6 1.0
C C:PRO130 4.9 17.7 1.0
CA C:GLY131 4.9 18.0 1.0

Chlorine binding site 7 out of 24 in 3fvt

Go back to Chlorine Binding Sites List in 3fvt
Chlorine binding site 7 out of 24 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus, Monoclinic Crystal Form II


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, Monoclinic Crystal Form II within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl321

b:20.1
occ:1.00
 O D:HOH988 3.0 22.1 1.0
O D:HOH756 3.2 19.6 1.0
O D:HOH1413 3.3 19.1 1.0
O D:HOH1984 3.3 24.1 1.0
N D:LEU143 3.4 19.0 1.0
CA D:GLY141 3.4 16.3 1.0
C D:GLY141 3.6 16.1 1.0
CB D:LEU143 3.6 17.7 1.0
N D:ILE142 3.7 15.5 1.0
CG D:LEU143 3.9 22.7 1.0
N D:GLY141 3.9 14.1 1.0
CB D:PRO130 3.9 17.7 1.0
CA D:LEU143 4.1 17.9 1.0
O D:GLY141 4.2 18.2 1.0
CD1 D:LEU143 4.3 18.2 1.0
CG D:PRO130 4.3 18.5 1.0
C D:ILE142 4.4 18.4 1.0
N D:GLY131 4.4 16.6 1.0
CA D:ILE142 4.5 17.4 1.0
CD D:PRO130 4.6 18.9 1.0
CG2 D:ILE142 4.7 13.4 1.0
OH D:TYR228 4.9 18.6 1.0
O D:GLY132 4.9 12.5 1.0
CA D:PRO130 5.0 18.0 1.0
C D:LEU143 5.0 19.4 1.0
OG1 D:THR147 5.0 14.6 1.0

Chlorine binding site 8 out of 24 in 3fvt

Go back to Chlorine Binding Sites List in 3fvt
Chlorine binding site 8 out of 24 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus, Monoclinic Crystal Form II


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, Monoclinic Crystal Form II within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl322

b:25.1
occ:1.00
 N D:HIS298 3.3 14.4 1.0
N D:LYS270 3.4 15.9 1.0
CB D:HIS298 3.6 14.4 1.0
CA D:ASP269 3.8 14.1 1.0
CE D:LYS270 3.9 37.9 1.0
O D:ILE268 3.9 17.1 1.0
NZ D:LYS270 4.0 39.5 1.0
CA D:HIS298 4.0 16.1 1.0
C D:ASP269 4.1 16.2 1.0
CA D:GLY297 4.1 16.8 1.0
OD1 D:ASP269 4.2 12.2 1.0
C D:GLY297 4.2 14.2 1.0
CB D:LYS270 4.2 22.9 1.0
CA D:LYS270 4.3 19.1 1.0
CG D:LYS270 4.5 30.1 1.0
N D:ILE271 4.5 19.3 1.0
CG D:ASP269 4.6 14.8 1.0
N D:ASP269 4.7 13.1 1.0
C D:ILE268 4.7 16.0 1.0
CG1 D:ILE271 4.7 21.7 1.0
O D:HIS298 4.7 16.9 1.0
CB D:ASP269 4.7 15.8 1.0
CD1 D:ILE271 4.8 22.1 1.0
C D:HIS298 4.8 17.0 1.0
CD D:LYS270 4.8 32.6 1.0
CG D:HIS298 4.9 16.2 1.0
C D:LYS270 4.9 19.4 1.0

Chlorine binding site 9 out of 24 in 3fvt

Go back to Chlorine Binding Sites List in 3fvt
Chlorine binding site 9 out of 24 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus, Monoclinic Crystal Form II


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, Monoclinic Crystal Form II within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl321

b:33.7
occ:1.00
 N E:LYS270 3.2 16.6 1.0
N E:HIS298 3.3 13.0 1.0
O E:HOH1476 3.4 23.4 1.0
CB E:HIS298 3.6 12.4 1.0
CA E:ASP269 3.8 15.3 1.0
O E:ILE268 3.9 10.6 1.0
C E:ASP269 4.0 15.5 1.0
CA E:HIS298 4.1 13.9 1.0
OD1 E:ASP269 4.2 13.8 1.0
CA E:GLY297 4.2 16.0 1.0
C E:GLY297 4.2 17.4 1.0
CG E:LYS270 4.2 27.3 1.0
CA E:LYS270 4.3 16.8 1.0
CB E:LYS270 4.3 23.5 1.0
N E:ILE271 4.4 12.5 1.0
CG1 E:ILE271 4.4 17.0 1.0
CG E:ASP269 4.5 12.7 1.0
N E:ASP269 4.7 11.6 1.0
C E:ILE268 4.7 15.1 1.0
CD1 E:ILE271 4.7 15.0 1.0
CB E:ASP269 4.7 13.9 1.0
O E:HIS298 4.7 13.3 1.0
C E:HIS298 4.8 14.1 1.0
C E:LYS270 4.8 18.3 1.0
O E:HOH2490 4.9 43.0 1.0
CG E:HIS298 4.9 12.0 1.0

Chlorine binding site 10 out of 24 in 3fvt

Go back to Chlorine Binding Sites List in 3fvt
Chlorine binding site 10 out of 24 in the Crystal Structure of Acetyl Xylan Esterase From Bacillus Pumilus, Monoclinic Crystal Form II


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, Monoclinic Crystal Form II within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl322

b:20.4
occ:1.00
 O E:HOH1634 3.1 27.4 1.0
O E:HOH357 3.2 24.5 1.0
O E:HOH330 3.2 15.1 1.0
O E:HOH467 3.3 21.3 1.0
N E:LEU143 3.4 18.1 1.0
CB E:LEU143 3.4 17.6 1.0
CA E:GLY141 3.5 15.6 1.0
C E:GLY141 3.6 16.6 1.0
CG E:LEU143 3.7 18.8 1.0
N E:ILE142 3.7 14.5 1.0
CB E:PRO130 3.9 18.3 1.0
CD1 E:LEU143 4.0 20.6 1.0
CA E:LEU143 4.0 17.1 1.0
N E:GLY141 4.0 16.9 1.0
CG E:PRO130 4.2 17.6 1.0
O E:GLY141 4.2 16.2 1.0
CD E:PRO130 4.4 20.1 1.0
C E:ILE142 4.5 17.4 1.0
N E:GLY131 4.6 17.2 1.0
CA E:ILE142 4.6 17.3 1.0
O E:HOH1352 4.8 26.8 1.0
OG1 E:THR147 4.9 16.3 1.0
C E:LEU143 4.9 18.8 1.0
C E:PRO130 4.9 18.9 1.0
CA E:PRO130 4.9 17.9 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: Sat Jul 20 19:39:41 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy