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Chlorine in PDB 3u0g: Crystal Structure of Branched-Chain Amino Acid Aminotransferase From Burkholderia Pseudomallei

Enzymatic activity of Crystal Structure of Branched-Chain Amino Acid Aminotransferase From Burkholderia Pseudomallei

All present enzymatic activity of Crystal Structure of Branched-Chain Amino Acid Aminotransferase From Burkholderia Pseudomallei:
2.6.1.42;

Protein crystallography data

The structure of Crystal Structure of Branched-Chain Amino Acid Aminotransferase From Burkholderia Pseudomallei, PDB code: 3u0g was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.90
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 106.970, 139.270, 290.860, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 23

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Branched-Chain Amino Acid Aminotransferase From Burkholderia Pseudomallei (pdb code 3u0g). 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 Branched-Chain Amino Acid Aminotransferase From Burkholderia Pseudomallei, PDB code: 3u0g:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3u0g

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Chlorine binding site 1 out of 6 in the Crystal Structure of Branched-Chain Amino Acid Aminotransferase From Burkholderia Pseudomallei


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 Branched-Chain Amino Acid Aminotransferase From Burkholderia Pseudomallei within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl309

b:46.6
occ:1.00
 OH A:TYR98 3.3 28.8 1.0
O A:HOH436 3.8 32.7 1.0
O A:HOH644 3.8 46.8 1.0
N A:ALA259 3.9 33.5 1.0
CE1 A:TYR98 3.9 29.4 1.0
CB A:THR258 4.0 33.5 1.0
CZ A:TYR98 4.1 28.7 1.0
CB A:ALA259 4.2 37.0 1.0
O A:HOH377 4.5 40.5 1.0
CA A:GLY40 4.5 27.8 1.0
O2 A:PO4308 4.5 48.0 1.0
N A:THR258 4.6 30.0 1.0
CA A:THR258 4.6 32.5 1.0
NZ A:LYS161 4.6 48.8 1.0
CA A:ALA259 4.7 36.5 1.0
C A:THR258 4.7 33.7 1.0
CG2 A:THR258 4.7 33.7 1.0
OG1 A:THR258 4.9 33.2 1.0

Chlorine binding site 2 out of 6 in 3u0g

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Chlorine binding site 2 out of 6 in the Crystal Structure of Branched-Chain Amino Acid Aminotransferase From Burkholderia Pseudomallei


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 Branched-Chain Amino Acid Aminotransferase From Burkholderia Pseudomallei within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl309

b:43.8
occ:1.00
 OH B:TYR98 3.1 27.5 1.0
CE1 B:TYR98 3.7 28.2 1.0
O B:HOH642 3.7 47.0 1.0
CZ B:TYR98 3.9 27.2 1.0
N B:ALA259 3.9 38.0 1.0
O B:HOH364 4.0 31.5 1.0
CB B:THR258 4.0 35.5 1.0
CB B:ALA259 4.2 41.2 1.0
O B:HOH574 4.2 35.7 1.0
NZ B:LYS161 4.4 35.9 1.0
CA B:GLY40 4.4 25.0 1.0
O2 B:PO4308 4.5 35.0 1.0
N B:THR258 4.5 32.2 1.0
CA B:THR258 4.6 34.9 1.0
CA B:ALA259 4.6 41.6 1.0
C B:THR258 4.7 37.0 1.0
CG2 B:THR258 4.8 35.4 1.0
OG1 B:THR258 4.8 35.1 1.0
O B:HOH648 4.8 50.3 1.0
CD1 B:TYR98 4.9 28.5 1.0

Chlorine binding site 3 out of 6 in 3u0g

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Chlorine binding site 3 out of 6 in the Crystal Structure of Branched-Chain Amino Acid Aminotransferase From Burkholderia Pseudomallei


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 Branched-Chain Amino Acid Aminotransferase From Burkholderia Pseudomallei within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl310

b:48.8
occ:1.00
 O C:HOH643 3.3 42.7 1.0
OH C:TYR98 3.5 32.6 1.0
O C:HOH359 3.8 35.4 1.0
CE1 C:TYR98 3.9 32.8 1.0
CB C:THR258 3.9 32.4 1.0
N C:ALA259 4.0 34.2 1.0
CZ C:TYR98 4.2 32.9 1.0
CB C:ALA259 4.2 37.2 1.0
O3 C:PO4308 4.3 37.5 1.0
CA C:GLY40 4.4 31.4 1.0
N C:THR258 4.5 29.3 1.0
CA C:THR258 4.6 31.2 1.0
CG2 C:THR258 4.7 32.3 1.0
OG1 C:THR258 4.7 32.3 1.0
C C:THR258 4.7 32.6 1.0
CA C:ALA259 4.8 37.5 1.0
NZ C:LYS161 4.9 37.9 1.0

Chlorine binding site 4 out of 6 in 3u0g

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Chlorine binding site 4 out of 6 in the Crystal Structure of Branched-Chain Amino Acid Aminotransferase From Burkholderia Pseudomallei


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 Branched-Chain Amino Acid Aminotransferase From Burkholderia Pseudomallei within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl309

b:58.1
occ:1.00
 OH D:TYR98 3.0 44.7 1.0
CE1 D:TYR98 3.8 42.3 1.0
CZ D:TYR98 3.9 43.6 1.0
CB D:THR258 3.9 36.4 1.0
N D:ALA259 3.9 37.8 1.0
CB D:ALA259 4.1 40.3 1.0
CA D:GLY40 4.5 40.3 1.0
CG2 D:THR258 4.6 36.5 1.0
CA D:THR258 4.6 35.3 1.0
CA D:ALA259 4.7 40.1 1.0
NZ D:LYS161 4.7 50.8 1.0
N D:THR258 4.7 33.7 1.0
C D:THR258 4.7 36.2 1.0
OG1 D:THR258 4.7 37.0 1.0
O3 D:PO4308 4.7 45.3 1.0
O D:HOH356 4.9 51.1 1.0

Chlorine binding site 5 out of 6 in 3u0g

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Chlorine binding site 5 out of 6 in the Crystal Structure of Branched-Chain Amino Acid Aminotransferase From Burkholderia Pseudomallei


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 Branched-Chain Amino Acid Aminotransferase From Burkholderia Pseudomallei within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl310

b:61.8
occ:1.00
 OH E:TYR98 3.1 48.2 1.0
CE1 E:TYR98 3.8 51.0 1.0
CZ E:TYR98 4.0 49.3 1.0
CB E:THR258 4.0 42.6 1.0
NZ E:LYS161 4.2 53.9 1.0
CA E:GLY40 4.3 41.9 1.0
N E:ALA259 4.3 44.6 1.0
CG2 E:THR258 4.6 43.9 1.0
CB E:ALA259 4.6 45.5 1.0
O2 E:PO4308 4.8 43.1 1.0
OG1 E:THR258 4.8 41.6 1.0
CA E:THR258 4.8 43.1 1.0
N E:GLY40 4.9 40.9 1.0
N E:THR258 4.9 39.7 1.0
C E:THR258 4.9 45.3 1.0
C E:GLY40 5.0 42.8 1.0

Chlorine binding site 6 out of 6 in 3u0g

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Chlorine binding site 6 out of 6 in the Crystal Structure of Branched-Chain Amino Acid Aminotransferase From Burkholderia Pseudomallei


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 Branched-Chain Amino Acid Aminotransferase From Burkholderia Pseudomallei within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl310

b:44.6
occ:1.00
 OH F:TYR98 3.1 43.6 1.0
N F:ALA259 3.7 38.8 1.0
CB F:THR258 3.8 38.7 1.0
CB F:ALA259 3.9 39.2 1.0
CE1 F:TYR98 4.0 47.7 1.0
O F:HOH538 4.0 49.8 1.0
CZ F:TYR98 4.0 46.5 1.0
O F:HOH335 4.1 41.6 1.0
N F:THR258 4.4 36.7 1.0
CA F:THR258 4.4 38.3 1.0
CA F:ALA259 4.5 40.1 1.0
O4 F:PO4308 4.5 39.3 1.0
CA F:GLY40 4.6 44.9 1.0
C F:THR258 4.6 39.1 1.0
OG1 F:THR258 4.6 38.0 1.0
CG2 F:THR258 4.6 39.8 1.0
NZ F:LYS161 4.9 43.1 1.0

Reference:

B.L.Staker, A.Gardberg, B.Sankaran, Seattle Structural Genomics Center For Infectious Disease. Crystal Structure of Branched-Chain Amino Acid Aminotransferase From Burkholderia Pseudomallei To Be Published.
Page generated: Sun Jul 21 05:45:55 2024

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