Atomistry » Chlorine » PDB 5ao9-5b1g » 5b12
Atomistry »
  Chlorine »
    PDB 5ao9-5b1g »
      5b12 »

Chlorine in PDB 5b12: Crystal Structure of the B-Type Halohydrin Hydrogen-Halide-Lyase Mutant F71W/Q125T/D199H From Corynebacterium Sp. N-1074

Protein crystallography data

The structure of Crystal Structure of the B-Type Halohydrin Hydrogen-Halide-Lyase Mutant F71W/Q125T/D199H From Corynebacterium Sp. N-1074, PDB code: 5b12 was solved by F.Watanabe, F.Yu, A.Ohtaki, Y.Yamanaka, K.Noguchi, M.Odaka, M.Yohda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.13 / 1.72
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 120.913, 215.005, 104.864, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 19.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the B-Type Halohydrin Hydrogen-Halide-Lyase Mutant F71W/Q125T/D199H From Corynebacterium Sp. N-1074 (pdb code 5b12). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of the B-Type Halohydrin Hydrogen-Halide-Lyase Mutant F71W/Q125T/D199H From Corynebacterium Sp. N-1074, PDB code: 5b12:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 5b12

Go back to Chlorine Binding Sites List in 5b12
Chlorine binding site 1 out of 6 in the Crystal Structure of the B-Type Halohydrin Hydrogen-Halide-Lyase Mutant F71W/Q125T/D199H From Corynebacterium Sp. N-1074


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 the B-Type Halohydrin Hydrogen-Halide-Lyase Mutant F71W/Q125T/D199H From Corynebacterium Sp. N-1074 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:23.0
occ:1.00
 O A:HOH575 3.0 27.7 1.0
NE2 A:GLN161 3.1 19.2 1.0
ND2 A:ASN166 3.3 17.9 1.0
N A:THR164 3.6 13.8 1.0
CD1 A:PHE170 3.6 17.0 1.0
O A:THR164 3.6 19.6 1.0
CE1 A:PHE170 3.6 19.4 1.0
O A:HOH437 3.7 27.4 1.0
CA A:HIS162 3.8 15.3 1.0
CB A:THR164 3.8 15.4 1.0
N A:TRP163 3.8 14.4 1.0
C A:HIS162 3.9 15.9 1.0
CG A:GLN161 3.9 17.1 1.0
CD A:GLN161 4.0 18.0 1.0
CA A:THR164 4.1 15.0 1.0
N A:HIS162 4.2 12.2 1.0
C A:THR164 4.3 19.5 1.0
OG1 A:THR164 4.3 16.5 1.0
CB A:TYR169 4.3 20.2 1.0
CG A:ASN166 4.3 20.6 1.0
CD1 A:TYR169 4.4 19.7 1.0
C A:GLN161 4.4 13.6 1.0
O A:GLN161 4.4 15.8 1.0
OD1 A:ASN166 4.5 22.6 1.0
O A:HIS162 4.5 14.2 1.0
ND1 A:HIS162 4.5 25.0 1.0
C A:TRP163 4.6 15.1 1.0
CA A:TRP163 4.7 16.1 1.0
CB A:GLN161 4.7 14.4 1.0
CG A:TYR169 4.7 20.6 1.0
CG A:PHE170 4.8 18.7 1.0
OH A:TYR19 4.9 16.8 1.0
CZ A:PHE170 4.9 17.6 1.0
CE1 A:TYR19 4.9 19.2 1.0

Chlorine binding site 2 out of 6 in 5b12

Go back to Chlorine Binding Sites List in 5b12
Chlorine binding site 2 out of 6 in the Crystal Structure of the B-Type Halohydrin Hydrogen-Halide-Lyase Mutant F71W/Q125T/D199H From Corynebacterium Sp. N-1074


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 the B-Type Halohydrin Hydrogen-Halide-Lyase Mutant F71W/Q125T/D199H From Corynebacterium Sp. N-1074 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:28.1
occ:1.00
 NE2 B:GLN161 3.0 22.7 1.0
ND2 B:ASN166 3.1 19.6 1.0
O B:HOH615 3.2 25.8 1.0
CE2 B:PHE170 3.4 19.8 1.0
N B:THR164 3.6 13.3 1.0
O B:THR164 3.6 16.1 1.0
CG B:GLN161 3.7 15.1 1.0
CA B:HIS162 3.8 14.2 1.0
N B:TRP163 3.8 14.0 1.0
CD B:GLN161 3.8 22.4 1.0
CB B:THR164 3.9 13.7 1.0
C B:HIS162 3.9 13.7 1.0
CD2 B:PHE170 3.9 17.9 1.0
N B:HIS162 4.2 12.8 1.0
CA B:THR164 4.2 13.4 1.0
CG B:ASN166 4.3 18.5 1.0
O B:HOH401 4.3 23.4 1.0
O B:GLN161 4.3 12.6 1.0
CD2 B:TYR169 4.3 16.8 1.0
C B:GLN161 4.3 11.8 1.0
C B:THR164 4.3 13.1 1.0
CB B:TYR169 4.5 21.1 1.0
OD1 B:ASN166 4.6 21.8 1.0
OG1 B:THR164 4.6 14.1 1.0
CZ B:PHE170 4.6 19.8 1.0
CB B:GLN161 4.6 14.2 1.0
O B:HIS162 4.6 12.4 1.0
C B:TRP163 4.6 14.7 1.0
ND1 B:HIS162 4.6 18.4 1.0
CA B:TRP163 4.7 14.3 1.0
OH B:TYR19 4.8 16.5 1.0
CG B:TYR169 4.8 19.1 1.0
CE1 B:TYR19 4.9 16.8 1.0
CG2 B:THR164 5.0 16.4 1.0

Chlorine binding site 3 out of 6 in 5b12

Go back to Chlorine Binding Sites List in 5b12
Chlorine binding site 3 out of 6 in the Crystal Structure of the B-Type Halohydrin Hydrogen-Halide-Lyase Mutant F71W/Q125T/D199H From Corynebacterium Sp. N-1074


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 the B-Type Halohydrin Hydrogen-Halide-Lyase Mutant F71W/Q125T/D199H From Corynebacterium Sp. N-1074 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:21.0
occ:1.00
 O C:HOH584 3.0 24.6 1.0
NE2 C:GLN161 3.2 18.1 1.0
ND2 C:ASN166 3.3 15.3 1.0
N C:THR164 3.6 16.0 1.0
CD2 C:PHE170 3.6 17.5 1.0
O C:THR164 3.6 17.2 1.0
CE2 C:PHE170 3.7 15.7 1.0
CA C:HIS162 3.7 14.0 1.0
CB C:THR164 3.7 13.3 1.0
O C:HOH424 3.7 26.9 1.0
N C:TRP163 3.8 12.8 1.0
C C:HIS162 3.8 14.2 1.0
CG C:GLN161 3.9 14.5 1.0
CD C:GLN161 4.0 15.7 1.0
CA C:THR164 4.1 14.6 1.0
N C:HIS162 4.1 13.8 1.0
CB C:TYR169 4.2 16.1 1.0
C C:THR164 4.3 16.5 1.0
OG1 C:THR164 4.3 15.2 1.0
CD2 C:TYR169 4.4 16.9 1.0
CG C:ASN166 4.4 17.3 1.0
C C:GLN161 4.4 14.8 1.0
O C:GLN161 4.5 15.3 1.0
O C:HIS162 4.5 14.8 1.0
ND1 C:HIS162 4.5 21.4 1.0
OD1 C:ASN166 4.6 19.9 1.0
C C:TRP163 4.6 15.0 1.0
CG C:TYR169 4.6 17.1 1.0
CB C:GLN161 4.7 12.9 1.0
CA C:TRP163 4.7 13.7 1.0
CG C:PHE170 4.8 17.0 1.0
CG2 C:THR164 4.9 17.2 1.0
OH C:TYR19 4.9 14.5 1.0
CZ C:PHE170 5.0 16.9 1.0
CE1 C:TYR19 5.0 15.0 1.0
CB C:HIS162 5.0 15.0 1.0

Chlorine binding site 4 out of 6 in 5b12

Go back to Chlorine Binding Sites List in 5b12
Chlorine binding site 4 out of 6 in the Crystal Structure of the B-Type Halohydrin Hydrogen-Halide-Lyase Mutant F71W/Q125T/D199H From Corynebacterium Sp. N-1074


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 the B-Type Halohydrin Hydrogen-Halide-Lyase Mutant F71W/Q125T/D199H From Corynebacterium Sp. N-1074 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:22.4
occ:1.00
 O D:HOH576 3.0 30.1 1.0
NE2 D:GLN161 3.3 21.5 1.0
ND2 D:ASN166 3.3 18.0 1.0
N D:THR164 3.6 15.5 1.0
O D:THR164 3.6 18.2 1.0
CD1 D:PHE170 3.6 18.3 1.0
CE1 D:PHE170 3.6 20.2 1.0
CA D:HIS162 3.7 13.9 1.0
O D:HOH423 3.8 29.2 1.0
CG D:GLN161 3.8 18.2 1.0
CB D:THR164 3.8 16.2 1.0
N D:TRP163 3.8 18.0 1.0
C D:HIS162 3.8 13.1 1.0
CD D:GLN161 4.0 20.4 1.0
CA D:THR164 4.1 15.3 1.0
N D:HIS162 4.2 13.0 1.0
CB D:TYR169 4.2 19.5 1.0
C D:THR164 4.3 16.7 1.0
CD2 D:TYR169 4.3 20.1 1.0
CG D:ASN166 4.4 19.4 1.0
C D:GLN161 4.4 13.1 1.0
O D:GLN161 4.5 16.5 1.0
OG1 D:THR164 4.5 16.6 1.0
ND1 D:HIS162 4.5 21.3 1.0
O D:HIS162 4.5 15.1 1.0
OD1 D:ASN166 4.5 19.7 1.0
CG D:TYR169 4.6 17.9 1.0
C D:TRP163 4.6 15.1 1.0
CB D:GLN161 4.7 16.4 1.0
CA D:TRP163 4.7 16.8 1.0
CG D:PHE170 4.8 19.5 1.0
OH D:TYR19 4.9 17.6 1.0
CG2 D:THR164 4.9 16.8 1.0
CE1 D:TYR19 4.9 21.7 1.0
CZ D:PHE170 4.9 20.8 1.0

Chlorine binding site 5 out of 6 in 5b12

Go back to Chlorine Binding Sites List in 5b12
Chlorine binding site 5 out of 6 in the Crystal Structure of the B-Type Halohydrin Hydrogen-Halide-Lyase Mutant F71W/Q125T/D199H From Corynebacterium Sp. N-1074


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 the B-Type Halohydrin Hydrogen-Halide-Lyase Mutant F71W/Q125T/D199H From Corynebacterium Sp. N-1074 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl301

b:17.4
occ:1.00
 O E:HOH570 3.0 25.1 1.0
NE2 E:GLN161 3.1 13.7 1.0
ND2 E:ASN166 3.3 13.1 1.0
N E:THR164 3.5 10.4 1.0
O E:THR164 3.6 12.4 1.0
CD2 E:PHE170 3.6 15.2 1.0
CE2 E:PHE170 3.7 13.0 1.0
CB E:THR164 3.7 10.0 1.0
CA E:HIS162 3.7 10.2 1.0
N E:TRP163 3.8 11.8 1.0
CG E:GLN161 3.8 11.3 1.0
C E:HIS162 3.9 12.9 1.0
O E:HOH435 3.9 24.6 1.0
CD E:GLN161 4.0 13.3 1.0
CA E:THR164 4.0 12.2 1.0
N E:HIS162 4.1 9.7 1.0
C E:THR164 4.2 11.7 1.0
OG1 E:THR164 4.3 12.0 1.0
CG E:ASN166 4.3 14.9 1.0
CB E:TYR169 4.4 14.3 1.0
CD2 E:TYR169 4.4 15.6 1.0
C E:GLN161 4.4 9.9 1.0
O E:GLN161 4.4 11.4 1.0
ND1 E:HIS162 4.4 20.4 1.0
O E:HIS162 4.5 12.0 1.0
OD1 E:ASN166 4.6 16.0 1.0
C E:TRP163 4.6 9.8 1.0
CB E:GLN161 4.6 11.0 1.0
CA E:TRP163 4.7 10.7 1.0
CG E:TYR169 4.8 14.4 1.0
CG2 E:THR164 4.8 13.1 1.0
CG E:PHE170 4.8 10.7 1.0
OH E:TYR19 4.9 14.6 1.0
CE1 E:TYR19 4.9 11.5 1.0
CZ E:PHE170 4.9 14.6 1.0

Chlorine binding site 6 out of 6 in 5b12

Go back to Chlorine Binding Sites List in 5b12
Chlorine binding site 6 out of 6 in the Crystal Structure of the B-Type Halohydrin Hydrogen-Halide-Lyase Mutant F71W/Q125T/D199H From Corynebacterium Sp. N-1074


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 the B-Type Halohydrin Hydrogen-Halide-Lyase Mutant F71W/Q125T/D199H From Corynebacterium Sp. N-1074 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl301

b:28.1
occ:1.00
 O F:HOH538 2.9 30.4 1.0
NE2 F:GLN161 3.2 26.1 1.0
ND2 F:ASN166 3.3 21.4 1.0
CD1 F:PHE170 3.5 25.2 1.0
N F:THR164 3.6 20.9 1.0
CE1 F:PHE170 3.6 27.8 1.0
O F:THR164 3.6 25.3 1.0
CA F:HIS162 3.7 19.0 1.0
CG F:GLN161 3.8 24.5 1.0
CB F:THR164 3.8 25.5 1.0
N F:TRP163 3.8 20.1 1.0
C F:HIS162 3.9 20.8 1.0
O F:HOH410 4.0 29.4 1.0
CD F:GLN161 4.0 26.4 1.0
CA F:THR164 4.1 21.1 1.0
N F:HIS162 4.2 15.0 1.0
CB F:TYR169 4.2 25.0 1.0
C F:THR164 4.3 24.1 1.0
CG F:ASN166 4.4 23.1 1.0
ND1 F:HIS162 4.4 27.3 1.0
CD2 F:TYR169 4.4 20.9 1.0
OG1 F:THR164 4.4 22.5 1.0
C F:GLN161 4.4 17.7 1.0
O F:GLN161 4.4 21.2 1.0
O F:HIS162 4.6 22.4 1.0
OD1 F:ASN166 4.6 26.1 1.0
C F:TRP163 4.6 21.5 1.0
CG F:TYR169 4.7 21.6 1.0
CA F:TRP163 4.7 21.9 1.0
CG F:PHE170 4.7 27.8 1.0
CB F:GLN161 4.8 20.3 1.0
OH F:TYR19 4.8 24.5 1.0
CZ F:PHE170 4.9 23.1 1.0
CG2 F:THR164 5.0 21.5 1.0
CE1 F:TYR19 5.0 26.4 1.0

Reference:

F.Watanabe, F.Yu, A.Ohtaki, Y.Yamanaka, K.Noguchi, M.Odaka, M.Yohda. Improvement of Enantioselectivity of the B-Type Halohydrin Hydrogen-Halide-Lyase From Corynebacterium Sp. N-1074 J.Biosci.Bioeng. V. 122 270 2016.
ISSN: ISSN 1389-1723
PubMed: 27215832
DOI: 10.1016/J.JBIOSC.2016.02.003
Page generated: Fri Jul 26 05:26:54 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy