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Chlorine in PDB 3n5m: Crystals Structure of A Bacillus Anthracis Aminotransferase

Protein crystallography data

The structure of Crystals Structure of A Bacillus Anthracis Aminotransferase, PDB code: 3n5m was solved by S.M.Anderson, Z.Wawrzak, R.Dileo, O.Onopriyenko, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.85 / 2.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 62.414, 176.176, 80.059, 90.00, 94.47, 90.00
R / Rfree (%) 15.6 / 19.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystals Structure of A Bacillus Anthracis Aminotransferase (pdb code 3n5m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystals Structure of A Bacillus Anthracis Aminotransferase, PDB code: 3n5m:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 3n5m

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Chlorine binding site 1 out of 8 in the Crystals Structure of A Bacillus Anthracis Aminotransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystals Structure of A Bacillus Anthracis Aminotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl452

b:33.0
occ:1.00
 O A:HOH895 2.8 41.6 1.0
O A:HOH505 3.0 31.6 1.0
N A:GLU219 3.3 20.9 1.0
NE A:ARG142 3.3 30.6 1.0
NH2 A:ARG142 3.4 27.2 1.0
CE1 A:HIS147 3.4 26.1 1.0
NE2 A:HIS147 3.4 24.7 1.0
CA A:MSE218 3.7 25.5 1.0
CZ A:ARG142 3.8 33.2 1.0
C A:MSE218 4.0 26.6 1.0
CG1 A:ILE222 4.0 30.3 1.0
CB A:GLU219 4.1 28.0 1.0
CB A:MSE218 4.2 22.7 1.0
CA A:GLY145 4.2 24.0 1.0
CA A:GLU219 4.3 24.0 1.0
CG A:GLU219 4.3 26.7 1.0
O A:GLU219 4.4 26.8 1.0
O A:HOH503 4.4 30.6 1.0
CD A:ARG142 4.4 29.5 1.0
O A:ILE217 4.5 27.3 1.0
CD1 A:ILE222 4.6 27.2 1.0
CB A:ARG142 4.6 29.6 1.0
ND1 A:HIS147 4.7 20.3 1.0
CD2 A:HIS147 4.7 21.3 1.0
N A:MSE218 4.8 23.2 1.0
N A:ARG142 4.8 19.9 1.0
C A:GLU219 4.9 26.4 1.0
OE1 A:GLU219 4.9 34.3 1.0

Chlorine binding site 2 out of 8 in 3n5m

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Chlorine binding site 2 out of 8 in the Crystals Structure of A Bacillus Anthracis Aminotransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystals Structure of A Bacillus Anthracis Aminotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl453

b:36.8
occ:1.00
 N A:SER79 3.1 27.9 1.0
OG A:SER79 3.1 38.3 1.0
N D:GLY63 3.2 31.2 1.0
CB A:SER79 3.7 34.0 1.0
CD2 D:TYR62 3.8 26.1 1.0
CB D:TYR62 3.8 23.7 1.0
CA A:LEU78 3.8 31.8 1.0
CA D:GLY63 3.9 28.3 1.0
C A:LEU78 3.9 30.6 1.0
CA A:SER79 4.0 32.6 1.0
CA D:TYR62 4.0 26.4 1.0
C D:TYR62 4.1 29.9 1.0
CB D:ALA35 4.1 28.9 1.0
O D:ALA35 4.2 32.3 1.0
CG D:TYR62 4.3 31.1 1.0
CD1 A:LEU78 4.4 27.7 1.0
OH D:TYR287 4.5 29.1 1.0
N A:LEU78 4.5 28.8 1.0
O A:THR77 4.5 29.1 1.0
C D:ALA35 4.6 37.2 1.0
O A:LEU75 4.7 38.5 1.0
N A:TYR80 4.7 24.1 1.0
CZ D:TYR287 4.7 25.4 1.0
C A:THR77 4.8 33.4 1.0
CA D:ALA35 4.8 30.9 1.0
CE2 D:TYR62 4.9 24.0 1.0
N D:ALA35 4.9 32.5 1.0
CE2 D:TYR287 4.9 25.6 1.0
CB A:LEU78 4.9 24.0 1.0
C A:SER79 4.9 31.4 1.0

Chlorine binding site 3 out of 8 in 3n5m

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Chlorine binding site 3 out of 8 in the Crystals Structure of A Bacillus Anthracis Aminotransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystals Structure of A Bacillus Anthracis Aminotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl452

b:34.1
occ:1.00
 O B:HOH583 2.9 48.5 1.0
O B:HOH487 3.0 33.4 1.0
NE B:ARG142 3.2 29.4 1.0
NH2 B:ARG142 3.3 27.9 1.0
N B:GLU219 3.3 21.4 1.0
CE1 B:HIS147 3.5 24.8 1.0
NE2 B:HIS147 3.5 17.6 1.0
CZ B:ARG142 3.7 30.3 1.0
CA B:MSE218 3.8 23.8 1.0
CG1 B:ILE222 3.8 28.7 1.0
C B:MSE218 4.1 29.8 1.0
CA B:GLY145 4.1 21.3 1.0
CB B:GLU219 4.1 29.8 1.0
CB B:MSE218 4.2 28.8 1.0
CA B:GLU219 4.3 25.0 1.0
CD B:ARG142 4.3 32.1 1.0
CG B:GLU219 4.4 25.1 1.0
CD1 B:ILE222 4.4 29.6 1.0
O B:GLU219 4.4 21.4 1.0
O B:HOH509 4.5 25.3 1.0
CB B:ARG142 4.5 22.6 1.0
O B:ILE217 4.6 26.7 1.0
ND1 B:HIS147 4.7 18.8 1.0
CD2 B:HIS147 4.8 22.7 1.0
N B:ARG142 4.8 18.9 1.0
N B:TYR146 4.9 19.8 1.0
C B:GLU219 4.9 26.4 1.0
N B:MSE218 4.9 25.6 1.0
OE1 B:GLU219 4.9 30.9 1.0
CB B:ILE222 4.9 31.3 1.0
C B:GLY145 5.0 21.5 1.0
NH1 B:ARG142 5.0 26.2 1.0

Chlorine binding site 4 out of 8 in 3n5m

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Chlorine binding site 4 out of 8 in the Crystals Structure of A Bacillus Anthracis Aminotransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystals Structure of A Bacillus Anthracis Aminotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl453

b:32.8
occ:1.00
 N B:SER79 3.0 22.2 1.0
OG B:SER79 3.1 36.5 1.0
O B:HOH1032 3.1 54.8 1.0
N C:GLY63 3.3 26.3 1.0
CB B:SER79 3.6 28.8 1.0
CA B:LEU78 3.7 30.1 1.0
C B:LEU78 3.8 30.1 1.0
CD2 C:TYR62 3.9 24.2 1.0
CA B:SER79 3.9 24.9 1.0
CB C:TYR62 3.9 23.7 1.0
CA C:GLY63 4.0 27.2 1.0
CA C:TYR62 4.2 24.3 1.0
O C:ALA35 4.2 30.5 1.0
C C:TYR62 4.2 21.9 1.0
CB C:ALA35 4.2 23.5 1.0
N B:LEU78 4.3 29.8 1.0
O B:THR77 4.4 29.8 1.0
CD1 B:LEU78 4.4 25.8 1.0
CG C:TYR62 4.4 23.7 1.0
O B:LEU75 4.5 32.8 1.0
OH C:TYR287 4.5 23.5 1.0
C B:THR77 4.6 37.1 1.0
C C:ALA35 4.7 34.3 1.0
N B:TYR80 4.7 24.8 1.0
CZ C:TYR287 4.7 24.0 1.0
CB B:LEU78 4.8 23.3 1.0
CE2 C:TYR287 4.8 17.5 1.0
CA C:ALA35 4.9 31.1 1.0
C B:SER79 4.9 36.2 1.0
N C:ALA35 4.9 29.9 1.0

Chlorine binding site 5 out of 8 in 3n5m

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Chlorine binding site 5 out of 8 in the Crystals Structure of A Bacillus Anthracis Aminotransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystals Structure of A Bacillus Anthracis Aminotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl451

b:33.3
occ:1.00
 O C:HOH476 2.8 26.1 1.0
NE C:ARG142 3.3 28.4 1.0
N C:GLU219 3.3 22.9 1.0
NH2 C:ARG142 3.4 30.1 1.0
NE2 C:HIS147 3.5 18.4 1.0
CE1 C:HIS147 3.5 23.7 1.0
CA C:MSE218 3.8 25.8 1.0
CZ C:ARG142 3.8 29.9 1.0
CG1 C:ILE222 3.9 28.7 1.0
CB C:GLU219 4.1 25.4 1.0
C C:MSE218 4.1 23.2 1.0
CA C:GLY145 4.2 21.7 1.0
CG C:GLU219 4.3 28.9 1.0
CB C:MSE218 4.3 24.6 1.0
CA C:GLU219 4.3 21.4 1.0
O C:HOH462 4.4 23.9 1.0
O C:GLU219 4.4 21.6 1.0
CD C:ARG142 4.5 30.0 1.0
CD1 C:ILE222 4.5 36.1 1.0
CB C:ARG142 4.6 26.8 1.0
O C:ILE217 4.6 30.4 1.0
ND1 C:HIS147 4.7 22.6 1.0
CD2 C:HIS147 4.7 24.8 1.0
OE1 C:GLU219 4.8 31.2 1.0
C C:GLU219 4.9 22.7 1.0
N C:TYR146 4.9 21.7 1.0
N C:ARG142 4.9 20.7 1.0
N C:MSE218 4.9 21.2 1.0

Chlorine binding site 6 out of 8 in 3n5m

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Chlorine binding site 6 out of 8 in the Crystals Structure of A Bacillus Anthracis Aminotransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystals Structure of A Bacillus Anthracis Aminotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl452

b:35.8
occ:1.00
 N C:SER79 3.1 17.5 1.0
OG C:SER79 3.1 38.4 1.0
N B:GLY63 3.1 25.2 1.0
O C:HOH453 3.3 62.3 1.0
O C:HOH864 3.6 51.7 1.0
CB C:SER79 3.6 26.6 1.0
CB B:TYR62 3.8 17.6 1.0
CA B:GLY63 3.9 24.9 1.0
CD2 B:TYR62 3.9 20.0 1.0
CA C:LEU78 3.9 26.3 1.0
CA C:SER79 3.9 24.1 1.0
C C:LEU78 4.0 28.2 1.0
CA B:TYR62 4.0 25.5 1.0
C B:TYR62 4.0 25.9 1.0
O B:ALA35 4.2 31.4 1.0
CB B:ALA35 4.3 22.4 1.0
OH B:TYR287 4.3 23.2 1.0
CG B:TYR62 4.4 23.4 1.0
O C:LEU75 4.5 32.1 1.0
O C:THR77 4.5 21.0 1.0
N C:LEU78 4.6 27.4 1.0
CD1 C:LEU78 4.6 23.1 1.0
CZ B:TYR287 4.6 27.3 1.0
C B:ALA35 4.7 30.6 1.0
C C:THR77 4.8 30.8 1.0
N C:TYR80 4.8 22.7 1.0
CE2 B:TYR287 4.8 22.4 1.0
CA B:ALA35 4.9 30.2 1.0
C C:SER79 5.0 33.2 1.0

Chlorine binding site 7 out of 8 in 3n5m

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Chlorine binding site 7 out of 8 in the Crystals Structure of A Bacillus Anthracis Aminotransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystals Structure of A Bacillus Anthracis Aminotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl453

b:31.2
occ:1.00
 O D:HOH565 3.0 51.4 1.0
N A:GLY63 3.2 30.4 1.0
N D:SER79 3.2 26.4 1.0
OG D:SER79 3.2 35.2 1.0
O D:HOH904 3.5 61.1 1.0
CB D:SER79 3.7 30.5 1.0
CA D:LEU78 3.8 30.3 1.0
CB A:TYR62 3.8 24.3 1.0
CA A:GLY63 3.9 28.6 1.0
C D:LEU78 4.0 29.6 1.0
CD2 A:TYR62 4.0 23.2 1.0
O A:ALA35 4.0 33.5 1.0
CA A:TYR62 4.1 25.6 1.0
C A:TYR62 4.1 27.2 1.0
CA D:SER79 4.1 29.5 1.0
CB A:ALA35 4.2 27.9 1.0
O D:THR77 4.3 33.6 1.0
CG A:TYR62 4.4 29.0 1.0
N D:LEU78 4.4 27.9 1.0
OH A:TYR287 4.5 26.4 1.0
CD1 D:LEU78 4.5 28.3 1.0
C A:ALA35 4.5 36.6 1.0
O D:LEU75 4.6 35.8 1.0
C D:THR77 4.6 35.9 1.0
CA A:ALA35 4.8 32.2 1.0
CZ A:TYR287 4.8 26.9 1.0
N A:ALA35 4.8 33.4 1.0
CB D:LEU78 4.9 26.5 1.0
CE2 A:TYR287 4.9 22.2 1.0

Chlorine binding site 8 out of 8 in 3n5m

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Chlorine binding site 8 out of 8 in the Crystals Structure of A Bacillus Anthracis Aminotransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystals Structure of A Bacillus Anthracis Aminotransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl454

b:33.7
occ:1.00
 NE D:ARG142 3.2 29.4 1.0
O D:HOH476 3.2 31.0 1.0
N D:GLU219 3.3 26.4 1.0
NH2 D:ARG142 3.3 33.4 1.0
NE2 D:HIS147 3.4 20.5 1.0
CE1 D:HIS147 3.5 20.6 1.0
CA D:MSE218 3.7 25.1 1.0
CZ D:ARG142 3.7 31.6 1.0
OG D:SER141 3.9 31.7 0.5
CG1 D:ILE222 3.9 29.2 1.0
C D:MSE218 4.0 29.5 1.0
CB D:MSE218 4.1 27.4 1.0
CB D:GLU219 4.2 29.5 1.0
CA D:GLY145 4.3 25.9 1.0
CA D:GLU219 4.3 23.3 1.0
CD D:ARG142 4.3 30.3 1.0
O D:GLU219 4.4 26.4 1.0
CG D:GLU219 4.4 30.0 1.0
O D:ILE217 4.5 26.6 1.0
O D:HOH474 4.5 25.7 1.0
CB D:ARG142 4.5 28.2 1.0
CD1 D:ILE222 4.5 35.9 1.0
ND1 D:HIS147 4.7 23.5 1.0
CD2 D:HIS147 4.7 22.8 1.0
N D:MSE218 4.8 24.4 1.0
N D:ARG142 4.8 22.9 1.0
C D:GLU219 4.9 27.4 1.0
OE1 D:GLU219 5.0 34.3 1.0

Reference:

S.M.Anderson, Z.Wawrzak, R.Dileo, O.Onopriyenko, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystals Structure of A Bacillus Anthracis Aminotransferase To Be Published.
Page generated: Sun Jul 21 00:36:11 2024

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