Chlorine in PDB 7v0b: Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad

Enzymatic activity of Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad

All present enzymatic activity of Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad:
1.14.19.49;

Protein crystallography data

The structure of Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad, PDB code: 7v0b was solved by C.Hou, O.V.Tsodikov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.00 / 2.15
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 62.764, 103.576, 179.216, 90, 95.4, 90
R / Rfree (%) 18.8 / 23.3

Other elements in 7v0b:

The structure of Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad (pdb code 7v0b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad, PDB code: 7v0b:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7v0b

Go back to Chlorine Binding Sites List in 7v0b
Chlorine binding site 1 out of 4 in the Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad


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 Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl603

b:49.5
occ:1.00
O A:ASP344 2.9 19.8 1.0
N A:GLY350 2.9 23.1 1.0
N1 A:FAD601 3.3 50.3 1.0
C10 A:FAD601 3.4 51.9 1.0
CA A:GLY350 3.4 23.4 1.0
N A:ARG349 3.4 23.4 1.0
O A:HOH800 3.6 29.8 1.0
O A:HOH900 3.6 28.6 1.0
N10 A:FAD601 3.7 51.9 1.0
C2 A:FAD601 3.8 48.6 1.0
CA A:PRO345 3.8 21.2 1.0
O A:PRO345 3.9 19.8 1.0
C A:ASP344 3.9 20.5 1.0
C A:ARG349 3.9 23.5 1.0
C4X A:FAD601 4.0 52.9 1.0
C A:SER348 4.0 22.9 1.0
CA A:SER348 4.0 22.6 1.0
C1' A:FAD601 4.0 54.2 1.0
C A:PRO345 4.0 20.4 1.0
CA A:ARG349 4.1 23.2 1.0
N A:PRO345 4.3 20.7 1.0
CE1 A:PHE342 4.3 26.7 1.0
N3 A:FAD601 4.3 53.0 1.0
O2 A:FAD601 4.4 46.0 1.0
C4 A:FAD601 4.4 53.0 1.0
CB A:ARG349 4.4 22.8 1.0
N A:SER348 4.5 21.3 1.0
C9A A:FAD601 4.5 51.6 1.0
N5 A:FAD601 4.7 52.4 1.0
C A:GLY350 4.8 23.1 1.0
O A:LEU346 4.9 20.3 1.0
C5X A:FAD601 4.9 52.0 1.0
CZ A:PHE342 4.9 25.7 1.0
O A:SER348 4.9 22.7 1.0
N A:LEU346 4.9 20.2 1.0

Chlorine binding site 2 out of 4 in 7v0b

Go back to Chlorine Binding Sites List in 7v0b
Chlorine binding site 2 out of 4 in the Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad


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 Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl604

b:65.7
occ:1.00
O B:ASP344 2.9 20.9 1.0
N B:GLY350 2.9 23.5 1.0
N B:ARG349 3.1 24.7 1.0
C10 B:FAD601 3.4 46.6 1.0
N1 B:FAD601 3.4 44.4 1.0
O B:HOH722 3.4 26.6 1.0
CA B:GLY350 3.6 22.9 1.0
C B:SER348 3.7 24.1 1.0
CA B:PRO345 3.7 22.1 1.0
N10 B:FAD601 3.7 46.2 1.0
CA B:SER348 3.7 23.8 1.0
O B:PRO345 3.7 22.1 1.0
C B:PRO345 3.8 21.8 1.0
C2 B:FAD601 3.8 41.9 1.0
C B:ARG349 3.9 24.0 1.0
C4X B:FAD601 3.9 46.1 1.0
C B:ASP344 3.9 21.3 1.0
CA B:ARG349 3.9 23.9 1.0
O B:HOH852 3.9 27.9 1.0
C1' B:FAD601 4.1 47.9 1.0
N B:SER348 4.1 22.9 1.0
N B:PRO345 4.2 22.4 1.0
N3 B:FAD601 4.3 43.9 1.0
C4 B:FAD601 4.3 45.1 1.0
CB B:ARG349 4.3 24.9 1.0
C9A B:FAD601 4.4 46.5 1.0
O2 B:FAD601 4.4 41.0 1.0
CE1 B:PHE342 4.5 22.6 1.0
N5 B:FAD601 4.5 47.0 1.0
O B:LEU346 4.6 20.8 1.0
O B:SER348 4.6 25.2 1.0
N B:LEU346 4.7 21.4 1.0
C5X B:FAD601 4.8 46.4 1.0
C B:GLY350 5.0 23.4 1.0
CB B:PRO345 5.0 22.8 1.0

Chlorine binding site 3 out of 4 in 7v0b

Go back to Chlorine Binding Sites List in 7v0b
Chlorine binding site 3 out of 4 in the Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad


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 Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl605

b:60.0
occ:1.00
O C:ASP344 2.9 20.8 1.0
N C:GLY350 3.0 24.8 1.0
N1 C:FAD601 3.4 54.2 1.0
C10 C:FAD601 3.4 57.5 1.0
N C:ARG349 3.5 25.4 1.0
CA C:GLY350 3.5 24.2 1.0
O C:HOH705 3.6 29.9 1.0
CA C:PRO345 3.6 23.7 1.0
N10 C:FAD601 3.7 57.9 1.0
O C:PRO345 3.8 25.5 1.0
C C:ASP344 3.9 22.3 1.0
C2 C:FAD601 3.9 52.5 1.0
C C:PRO345 3.9 24.6 1.0
C4X C:FAD601 3.9 57.7 1.0
C C:ARG349 4.0 25.2 1.0
CE1 C:PHE342 4.0 30.5 1.0
O C:HOH780 4.0 29.9 1.0
C C:SER348 4.0 25.5 1.0
C1' C:FAD601 4.0 61.8 1.0
CA C:SER348 4.1 24.5 1.0
N C:PRO345 4.1 22.8 1.0
CA C:ARG349 4.2 25.3 1.0
N3 C:FAD601 4.3 55.0 1.0
C4 C:FAD601 4.4 57.7 1.0
C9A C:FAD601 4.4 57.4 1.0
O2 C:FAD601 4.4 51.5 1.0
N C:SER348 4.5 24.4 1.0
CB C:ARG349 4.5 25.0 1.0
N5 C:FAD601 4.6 57.1 1.0
CZ C:PHE342 4.7 30.0 1.0
N C:LEU346 4.8 24.0 1.0
C5X C:FAD601 4.8 56.1 1.0
C C:GLY350 4.9 24.5 1.0
CD1 C:PHE342 4.9 30.1 1.0
O C:LEU346 4.9 24.6 1.0
CB C:PRO345 4.9 23.5 1.0
O C:SER348 5.0 25.9 1.0

Chlorine binding site 4 out of 4 in 7v0b

Go back to Chlorine Binding Sites List in 7v0b
Chlorine binding site 4 out of 4 in the Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad


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 Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl602

b:60.0
occ:1.00
N D:GLY350 2.9 30.8 1.0
O D:ASP344 3.0 28.4 1.0
N D:ARG349 3.1 31.8 1.0
N1 D:FAD601 3.3 46.6 1.0
C10 D:FAD601 3.3 48.3 1.0
O D:PRO345 3.6 32.4 1.0
CA D:GLY350 3.6 31.3 1.0
C D:SER348 3.6 31.4 1.0
CA D:SER348 3.7 30.7 1.0
N10 D:FAD601 3.7 47.6 1.0
C2 D:FAD601 3.8 47.1 1.0
CA D:PRO345 3.8 31.4 1.0
C D:ARG349 3.9 31.5 1.0
C4X D:FAD601 3.9 47.6 1.0
C D:PRO345 3.9 32.0 1.0
CA D:ARG349 4.0 32.3 1.0
C1' D:FAD601 4.0 50.8 1.0
C D:ASP344 4.0 29.4 1.0
O D:HOH713 4.0 28.4 1.0
N D:SER348 4.1 30.4 1.0
CE1 D:PHE342 4.2 34.9 1.0
N3 D:FAD601 4.3 45.7 1.0
N D:PRO345 4.3 30.6 1.0
O2 D:FAD601 4.4 48.7 1.0
C4 D:FAD601 4.4 47.4 1.0
CB D:ARG349 4.4 33.1 1.0
C9A D:FAD601 4.4 46.3 1.0
N5 D:FAD601 4.6 47.2 1.0
O D:SER348 4.7 31.3 1.0
CZ D:PHE342 4.8 34.7 1.0
O D:LEU346 4.8 31.9 1.0
C5X D:FAD601 4.8 45.9 1.0
C D:GLY350 4.9 31.1 1.0
CB D:SER348 5.0 30.8 1.0
N D:LEU346 5.0 32.1 1.0

Reference:

C.Hou, S.Garneau-Tsodikova, O.V.Tsodikov. Crystal Structures and Complex Formation of Halogenase Ctcp and Fad Reductase Ctcq From the Chlortetracycline Biosynthetic Pathway To Be Published.
Page generated: Wed Jul 26 15:08:09 2023

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