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Chlorine in PDB 5wwv: Crystal Structure of Porcine Kidney D-Amino Acid Oxidase Mutant (I230A/R283G)

Enzymatic activity of Crystal Structure of Porcine Kidney D-Amino Acid Oxidase Mutant (I230A/R283G)

All present enzymatic activity of Crystal Structure of Porcine Kidney D-Amino Acid Oxidase Mutant (I230A/R283G):
1.4.3.3;

Protein crystallography data

The structure of Crystal Structure of Porcine Kidney D-Amino Acid Oxidase Mutant (I230A/R283G), PDB code: 5wwv was solved by F.Motojima, K.Yasukawa, A.Ohno, Y.Asano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.73 / 3.20
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 170.064, 273.950, 136.800, 90.00, 90.00, 90.00
R / Rfree (%) 14.5 / 24.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Porcine Kidney D-Amino Acid Oxidase Mutant (I230A/R283G) (pdb code 5wwv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Porcine Kidney D-Amino Acid Oxidase Mutant (I230A/R283G), PDB code: 5wwv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 5wwv

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Chlorine binding site 1 out of 5 in the Crystal Structure of Porcine Kidney D-Amino Acid Oxidase Mutant (I230A/R283G)


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 Porcine Kidney D-Amino Acid Oxidase Mutant (I230A/R283G) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:90.7
occ:1.00
 CL A:7V3402 0.0 90.7 1.0
C4A A:7V3402 1.7 82.1 1.0
C3A A:7V3402 2.7 83.0 1.0
C5A A:7V3402 2.7 87.8 1.0
CG1 A:ILE215 3.4 50.8 1.0
CB A:ALA230 3.6 47.5 1.0
CD2 A:LEU51 3.7 60.8 1.0
CD1 A:ILE215 3.7 55.6 1.0
O A:ILE229 3.9 39.4 1.0
C2A A:7V3402 3.9 86.8 1.0
C6A A:7V3402 4.0 88.3 1.0
CD2 A:TYR228 4.0 43.3 1.0
CB A:PHE213 4.3 42.3 1.0
CB A:TYR228 4.4 47.7 1.0
CA A:ALA230 4.4 47.2 1.0
C A:ILE229 4.5 39.7 1.0
CB A:LEU51 4.5 57.2 1.0
C1A A:7V3402 4.5 83.9 1.0
CG A:TYR228 4.5 45.6 1.0
CG A:LEU51 4.7 61.0 1.0
N A:ALA230 4.7 42.7 1.0
CD1 A:PHE213 4.8 39.0 1.0
CG A:PHE213 4.8 38.6 1.0
CE2 A:TYR228 4.8 47.3 1.0
CB A:ILE215 4.9 44.8 1.0

Chlorine binding site 2 out of 5 in 5wwv

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Chlorine binding site 2 out of 5 in the Crystal Structure of Porcine Kidney D-Amino Acid Oxidase Mutant (I230A/R283G)


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 Porcine Kidney D-Amino Acid Oxidase Mutant (I230A/R283G) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl402

b:0.3
occ:1.00
 CL C:7V3402 0.0 0.3 1.0
C4A C:7V3402 1.8 0.5 1.0
C3A C:7V3402 2.7 0.1 1.0
C5A C:7V3402 2.8 0.8 1.0
CB C:ALA230 3.5 61.5 1.0
CD2 C:LEU51 3.5 67.7 1.0
CG1 C:ILE215 3.5 38.4 1.0
CB C:TYR228 3.8 46.4 1.0
CD1 C:TYR228 3.9 52.6 1.0
CD1 C:ILE215 3.9 40.1 1.0
C2A C:7V3402 4.0 0.7 1.0
C6A C:7V3402 4.0 0.7 1.0
CA C:ALA230 4.1 57.8 1.0
CG C:TYR228 4.1 49.0 1.0
O C:ILE229 4.1 51.2 1.0
N C:ALA230 4.2 52.6 1.0
C C:ILE229 4.2 50.0 1.0
N C:ILE229 4.4 50.2 1.0
CB C:PHE213 4.4 40.8 1.0
C1A C:7V3402 4.6 95.7 1.0
O C:ILE214 4.7 44.2 1.0
CG C:LEU51 4.7 67.0 1.0
CE1 C:TYR228 4.8 53.1 1.0
CB C:ILE215 4.8 36.6 1.0
CD1 C:PHE213 4.9 42.2 1.0
CA C:TYR228 4.9 47.2 1.0
CB C:LEU51 4.9 58.0 1.0
C C:TYR228 4.9 48.2 1.0
CG C:PHE213 5.0 40.2 1.0

Chlorine binding site 3 out of 5 in 5wwv

Go back to Chlorine Binding Sites List in 5wwv
Chlorine binding site 3 out of 5 in the Crystal Structure of Porcine Kidney D-Amino Acid Oxidase Mutant (I230A/R283G)


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 Porcine Kidney D-Amino Acid Oxidase Mutant (I230A/R283G) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl402

b:0.9
occ:1.00
 CL D:7V3402 0.0 0.9 1.0
C4A D:7V3402 1.8 0.9 1.0
C3A D:7V3402 2.8 99.4 1.0
C5A D:7V3402 2.8 0.6 1.0
CG1 D:ILE215 3.2 49.8 1.0
CD1 D:ILE215 3.4 53.1 1.0
CD2 D:LEU51 3.4 63.5 1.0
CD1 D:TYR228 4.0 39.8 1.0
C2A D:7V3402 4.1 98.9 1.0
C6A D:7V3402 4.1 93.7 1.0
CB D:TYR228 4.1 44.4 1.0
O D:ILE229 4.2 61.4 1.0
CB D:ALA230 4.3 57.7 1.0
CB D:ILE215 4.4 50.2 1.0
CG D:TYR228 4.4 39.1 1.0
CB D:LEU51 4.5 58.1 1.0
CB D:PHE213 4.5 43.6 1.0
CG2 D:ILE215 4.6 53.1 1.0
CG D:LEU51 4.6 60.3 1.0
C D:ILE229 4.6 54.1 1.0
C1A D:7V3402 4.6 95.5 1.0
CA D:ALA230 4.7 53.9 1.0
CD1 D:PHE213 4.8 42.0 1.0
N D:ILE229 4.8 45.6 1.0
O D:ILE214 4.8 50.1 1.0
CG D:PHE213 4.9 41.9 1.0
CE1 D:TYR228 4.9 41.5 1.0
CA D:ILE215 4.9 48.0 1.0
N D:ALA230 5.0 54.4 1.0
C D:ILE214 5.0 44.9 1.0
N D:ILE215 5.0 46.9 1.0

Chlorine binding site 4 out of 5 in 5wwv

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Chlorine binding site 4 out of 5 in the Crystal Structure of Porcine Kidney D-Amino Acid Oxidase Mutant (I230A/R283G)


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 Porcine Kidney D-Amino Acid Oxidase Mutant (I230A/R283G) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl402

b:0.9
occ:1.00
 CL F:7V3402 0.0 0.9 1.0
C4A F:7V3402 1.8 0.3 1.0
C3A F:7V3402 2.7 99.8 1.0
C5A F:7V3402 2.8 0.6 1.0
CB F:ALA230 3.4 60.6 1.0
CG1 F:ILE215 3.5 58.2 1.0
CD2 F:LEU51 3.7 76.9 1.0
CD1 F:ILE215 3.9 58.6 1.0
O F:ILE229 4.0 56.6 1.0
CB F:TYR228 4.0 63.3 1.0
CD1 F:TYR228 4.0 69.9 1.0
C2A F:7V3402 4.0 91.7 1.0
C6A F:7V3402 4.1 90.8 1.0
CA F:ALA230 4.1 60.0 1.0
C F:ILE229 4.2 53.1 1.0
N F:ALA230 4.3 57.8 1.0
CG F:TYR228 4.3 68.4 1.0
N F:ILE229 4.4 57.8 1.0
CB F:PHE213 4.4 71.7 1.0
C1A F:7V3402 4.6 92.5 1.0
CB F:LEU51 4.8 68.2 1.0
CB F:ILE215 4.8 62.3 1.0
CG F:LEU51 4.9 72.4 1.0
O F:ILE214 4.9 66.4 1.0
CE1 F:TYR228 5.0 72.6 1.0
CG F:PHE213 5.0 77.6 1.0

Chlorine binding site 5 out of 5 in 5wwv

Go back to Chlorine Binding Sites List in 5wwv
Chlorine binding site 5 out of 5 in the Crystal Structure of Porcine Kidney D-Amino Acid Oxidase Mutant (I230A/R283G)


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 Porcine Kidney D-Amino Acid Oxidase Mutant (I230A/R283G) within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl402

b:0.6
occ:1.00
 CL G:7V3402 0.0 0.6 1.0
C4A G:7V3402 1.8 0.4 1.0
C3A G:7V3402 2.8 0.7 1.0
C5A G:7V3402 2.8 0.7 1.0
CG1 G:ILE215 3.4 63.2 1.0
CD2 G:LEU51 3.5 96.3 1.0
CB G:ALA230 3.7 70.5 1.0
CD1 G:ILE215 3.7 65.0 1.0
CD1 G:TYR228 3.9 70.6 1.0
O G:ILE229 4.0 71.4 1.0
C2A G:7V3402 4.1 0.1 1.0
C6A G:7V3402 4.1 0.7 1.0
CB G:TYR228 4.2 64.2 1.0
CB G:LEU51 4.3 78.0 1.0
CG G:TYR228 4.3 68.1 1.0
C G:ILE229 4.4 62.8 1.0
CB G:PHE213 4.4 67.7 1.0
CA G:ALA230 4.5 64.4 1.0
CG G:LEU51 4.6 85.2 1.0
C1A G:7V3402 4.6 0.9 1.0
CE1 G:TYR228 4.7 69.0 1.0
N G:ALA230 4.7 63.8 1.0
CB G:ILE215 4.8 60.7 1.0
N G:ILE229 4.8 60.4 1.0
CD1 G:PHE213 4.8 67.5 1.0
CG G:PHE213 4.9 67.8 1.0
O G:ILE214 4.9 54.9 1.0

Reference:

K.Yasukawa, F.Motojima, A.Ohno, Y.Asano. Tailoring D-Amino Acid Oxidase From the Pid Kidney to R-Stereoselective Amine Oxidase and Its Use in the Deracemization of 4-Chlorobenzhydrylamine To Be Published.
Page generated: Fri Jul 26 20:43:15 2024

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