Chlorine in PDB 7mfq: Crystal Structure of the L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine

Protein crystallography data

The structure of Crystal Structure of the L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine, PDB code: 7mfq was solved by C.A.Seltzner, J.B.Thoden, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.05 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 91.21, 108.515, 146.058, 90, 90, 90
R / Rfree (%) 17.3 / 22.2

Other elements in 7mfq:

The structure of Crystal Structure of the L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine (pdb code 7mfq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of the L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine, PDB code: 7mfq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 7mfq

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Chlorine binding site 1 out of 8 in the Crystal Structure of the L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine


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 L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:18.0
occ:1.00
 O A:HOH648 3.0 11.4 1.0
ND2 A:ASN247 3.2 11.1 1.0
ND2 A:ASN246 3.3 19.8 1.0
O A:HOH676 3.4 12.6 1.0
CB A:ASN246 3.6 17.0 1.0
O A:HOH615 3.6 15.6 1.0
O A:LYS13 3.7 13.9 1.0
CD1 A:TYR243 3.9 9.4 1.0
CG A:ASN246 4.0 18.1 1.0
CA A:TYR243 4.0 10.8 1.0
CB A:ASP15 4.3 13.2 1.0
CG A:ASN247 4.4 12.6 1.0
O A:SER242 4.4 10.8 1.0
N A:ASP15 4.4 12.0 1.0
O A:TYR243 4.5 12.9 1.0
CE1 A:TYR243 4.6 9.5 1.0
N A:TYR243 4.6 11.2 1.0
C A:SER242 4.8 10.8 1.0
CG A:TYR243 4.8 9.8 1.0
CB A:TYR243 4.8 10.6 1.0
OD1 A:ASN247 4.8 13.5 1.0
C A:TYR243 4.8 11.6 1.0
OG A:SER242 4.9 8.4 1.0
C A:LYS13 4.9 14.0 1.0
CA A:ASP15 4.9 12.4 1.0
O A:HOH616 5.0 24.5 1.0

Chlorine binding site 2 out of 8 in 7mfq

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Chlorine binding site 2 out of 8 in the Crystal Structure of the L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine


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 L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:28.4
occ:1.00
 O A:HOH533 2.9 37.3 1.0
N A:LYS278 3.0 23.0 1.0
N A:LEU166 3.2 19.4 1.0
O A:HOH701 3.2 24.5 1.0
CB A:LYS278 3.5 34.6 1.0
CA A:LYS278 3.8 27.9 1.0
C A:SER277 3.9 20.2 1.0
CA A:TYR165 3.9 18.9 1.0
CA A:LEU166 4.0 20.5 1.0
CG A:LYS278 4.0 40.9 1.0
CA A:SER277 4.0 18.1 1.0
C A:TYR165 4.0 19.4 1.0
O A:PHE164 4.1 17.7 1.0
O A:HIS276 4.2 18.1 1.0
CD2 A:LEU166 4.2 21.3 1.0
O A:HOH651 4.2 15.0 1.0
CG A:LEU166 4.6 21.9 1.0
N A:TYR165 4.7 18.4 1.0
C A:PHE164 4.7 17.9 1.0
CD1 A:TYR165 4.7 19.6 1.0
CD A:LYS278 4.8 47.1 1.0
CB A:SER277 4.9 16.6 1.0
CB A:LEU166 4.9 20.7 1.0
CB A:TYR165 5.0 18.4 1.0
C A:LYS278 5.0 24.9 1.0
CG A:TYR165 5.0 18.6 1.0

Chlorine binding site 3 out of 8 in 7mfq

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Chlorine binding site 3 out of 8 in the Crystal Structure of the L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine


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 L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:15.8
occ:1.00
 ND2 B:ASN247 3.2 12.0 1.0
O B:HOH546 3.3 7.1 1.0
ND2 B:ASN246 3.3 13.2 1.0
O B:HOH683 3.4 12.7 1.0
CB B:ASN246 3.7 12.4 1.0
O B:HOH641 3.7 21.2 1.0
O B:LYS13 3.8 10.8 1.0
CD1 B:TYR243 3.9 9.4 1.0
CG B:ASN246 4.0 13.2 1.0
CA B:TYR243 4.1 8.5 1.0
CB B:ASP15 4.3 11.2 1.0
N B:ASP15 4.4 11.1 1.0
CG B:ASN247 4.4 12.1 1.0
O B:SER242 4.4 7.0 1.0
CE1 B:TYR243 4.4 9.6 1.0
O B:TYR243 4.5 8.3 1.0
CG B:TYR243 4.7 9.3 1.0
N B:TYR243 4.7 7.7 1.0
CB B:TYR243 4.7 8.8 1.0
C B:SER242 4.7 7.3 1.0
O B:HOH636 4.8 25.1 1.0
C B:TYR243 4.8 8.4 1.0
OD1 B:ASN247 4.8 12.1 1.0
CA B:ASP15 4.9 10.9 1.0
C B:LYS13 5.0 11.5 1.0

Chlorine binding site 4 out of 8 in 7mfq

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Chlorine binding site 4 out of 8 in the Crystal Structure of the L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine


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 L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:26.8
occ:1.00
 N B:LEU166 3.0 15.4 1.0
N B:LYS278 3.1 21.8 1.0
CG B:LYS278 3.6 34.1 1.0
CA B:TYR165 3.7 14.7 1.0
CB B:LYS278 3.7 28.7 1.0
CA B:SER277 3.8 18.5 1.0
C B:TYR165 3.8 14.6 1.0
C B:SER277 3.9 19.6 1.0
CA B:LEU166 4.0 16.7 1.0
O B:HIS276 4.0 21.5 1.0
CA B:LYS278 4.0 25.0 1.0
O B:PHE164 4.0 13.7 1.0
O B:HOH676 4.3 17.3 1.0
CD2 B:LEU166 4.3 22.8 1.0
CD1 B:TYR165 4.4 14.8 1.0
N B:TYR165 4.5 13.3 1.0
CB B:SER277 4.6 16.4 1.0
C B:PHE164 4.6 12.9 1.0
CG B:TYR165 4.7 14.6 1.0
CG B:LEU166 4.7 21.4 1.0
CB B:TYR165 4.7 14.4 1.0
CE B:LYS278 4.7 40.3 1.0
CD B:LYS278 4.7 38.7 1.0
N B:SER277 4.8 20.2 1.0
C B:HIS276 4.8 20.8 1.0
CB B:LEU166 4.9 18.9 1.0
N B:GLY167 5.0 15.6 1.0
O B:HOH790 5.0 20.3 1.0

Chlorine binding site 5 out of 8 in 7mfq

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Chlorine binding site 5 out of 8 in the Crystal Structure of the L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine


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 L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl402

b:25.3
occ:1.00
 O C:HOH616 2.9 8.4 1.0
O C:HOH631 3.2 24.2 1.0
ND2 C:ASN247 3.3 15.4 1.0
O C:HOH656 3.4 17.2 1.0
O C:LYS13 3.5 17.2 1.0
ND2 C:ASN246 3.6 20.2 1.0
CB C:ASN246 3.8 19.2 1.0
CD1 C:TYR243 3.9 11.1 1.0
CA C:TYR243 4.1 13.2 1.0
N C:ASP15 4.1 15.1 1.0
CB C:ASP15 4.1 13.8 1.0
CG C:ASN246 4.2 19.1 1.0
O C:SER242 4.5 13.6 1.0
CG C:ASN247 4.5 15.0 1.0
CE1 C:TYR243 4.6 11.2 1.0
O C:TYR243 4.6 13.9 1.0
N C:TYR243 4.6 12.9 1.0
CB C:TYR243 4.7 12.1 1.0
CG C:TYR243 4.7 11.7 1.0
C C:LYS13 4.7 17.2 1.0
CA C:ASP15 4.7 14.4 1.0
C C:SER242 4.8 13.7 1.0
C C:PRO14 4.8 15.4 1.0
C C:TYR243 4.9 13.6 1.0
OG C:SER242 4.9 12.9 1.0
OD1 C:ASN247 5.0 15.0 1.0
O C:HOH533 5.0 9.8 1.0

Chlorine binding site 6 out of 8 in 7mfq

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Chlorine binding site 6 out of 8 in the Crystal Structure of the L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine


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 L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl403

b:32.5
occ:1.00
 N C:LEU166 3.0 21.4 1.0
N C:LYS278 3.3 23.5 1.0
CG C:LYS278 3.6 35.2 1.0
CA C:TYR165 3.7 19.1 1.0
CB C:LYS278 3.8 29.9 1.0
C C:TYR165 3.8 20.9 1.0
CA C:LEU166 3.9 22.0 1.0
CA C:SER277 4.0 19.2 1.0
O C:PHE164 4.0 19.9 1.0
C C:SER277 4.0 20.0 1.0
O C:HIS276 4.1 22.6 1.0
CD2 C:LEU166 4.1 26.8 1.0
CA C:LYS278 4.1 25.3 1.0
O C:HOH579 4.2 22.3 1.0
N C:TYR165 4.5 19.2 1.0
CD C:LYS278 4.6 39.5 1.0
C C:PHE164 4.6 18.3 1.0
CG C:LEU166 4.6 25.9 1.0
CD1 C:TYR165 4.7 17.4 1.0
CB C:TYR165 4.7 18.3 1.0
NZ C:LYS278 4.8 46.8 1.0
CG C:TYR165 4.8 17.7 1.0
CB C:SER277 4.8 18.4 1.0
CB C:LEU166 4.9 23.4 1.0
N C:GLY167 4.9 22.4 1.0
C C:HIS276 4.9 19.4 1.0
N C:SER277 5.0 18.1 1.0
CE C:LYS278 5.0 44.4 1.0
C C:LEU166 5.0 22.5 1.0

Chlorine binding site 7 out of 8 in 7mfq

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Chlorine binding site 7 out of 8 in the Crystal Structure of the L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine


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 the L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl402

b:20.9
occ:1.00
 ND2 D:ASN247 3.1 12.6 1.0
O D:HOH539 3.2 9.9 1.0
O D:HOH672 3.2 26.9 1.0
O D:HOH689 3.4 17.1 1.0
ND2 D:ASN246 3.4 14.3 1.0
O D:LYS13 3.7 13.9 1.0
CB D:ASN246 3.7 13.7 1.0
CD1 D:TYR243 3.9 9.9 1.0
CG D:ASN246 4.0 14.3 1.0
CA D:TYR243 4.1 9.9 1.0
CB D:ASP15 4.3 17.6 1.0
CG D:ASN247 4.3 12.5 1.0
N D:ASP15 4.4 16.4 1.0
O D:SER242 4.4 9.6 1.0
CE1 D:TYR243 4.5 10.0 1.0
N D:TYR243 4.7 9.3 1.0
OD1 D:ASN247 4.7 12.8 1.0
O D:TYR243 4.7 10.6 1.0
C D:SER242 4.8 10.0 1.0
OG D:SER242 4.8 9.6 1.0
CG D:TYR243 4.8 9.9 1.0
CB D:TYR243 4.9 9.7 1.0
O D:HOH638 4.9 21.4 1.0
C D:LYS13 4.9 15.9 1.0
CA D:ASP15 4.9 16.4 1.0
C D:TYR243 5.0 10.1 1.0

Chlorine binding site 8 out of 8 in 7mfq

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Chlorine binding site 8 out of 8 in the Crystal Structure of the L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine


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 the L136 Aminotransferase From Acanthamoeba Polyphaga Mimivirus in Complex with the Tdp-Viosamine External Aldimine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl403

b:20.7
occ:1.00
 N D:LEU166 3.1 16.1 1.0
N D:LYS278 3.3 20.3 1.0
O D:HOH626 3.4 29.3 1.0
O D:HOH544 3.6 31.3 1.0
CB D:LYS278 3.8 29.5 1.0
CA D:TYR165 3.8 14.2 1.0
C D:TYR165 3.9 15.0 1.0
CA D:SER277 3.9 15.9 1.0
CA D:LEU166 3.9 16.6 1.0
C D:SER277 4.1 17.4 1.0
O D:PHE164 4.1 14.1 1.0
CA D:LYS278 4.1 24.2 1.0
O D:HIS276 4.2 15.9 1.0
CD2 D:LEU166 4.3 19.2 1.0
O D:HOH656 4.3 19.3 1.0
CG D:LEU166 4.5 18.3 1.0
N D:TYR165 4.6 13.4 1.0
CD1 D:TYR165 4.6 12.6 1.0
C D:PHE164 4.7 13.9 1.0
CG D:LYS278 4.7 35.1 1.0
CB D:SER277 4.7 15.0 1.0
CB D:TYR165 4.8 13.2 1.0
CG D:TYR165 4.8 12.8 1.0
CB D:LEU166 4.8 16.7 1.0
N D:SER277 4.9 14.9 1.0
C D:HIS276 4.9 14.0 1.0
N D:GLY167 5.0 16.1 1.0
O D:HOH838 5.0 28.1 1.0

Reference:

C.A.Seltzner, J.D.Ferek, J.B.Thoden, H.M.Holden. Characterization of An Aminotransferase From Acanthamoeba Polyphaga Mimivirus To Be Published.
Page generated: Tue Jul 30 00:29:30 2024

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