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Chlorine in PDB 6ci9: Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure

Enzymatic activity of Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure

All present enzymatic activity of Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure:
1.1.1.100;

Protein crystallography data

The structure of Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure, PDB code: 6ci9 was solved by E.Mallette, M.S.Kimber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.50 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 131.770, 129.060, 145.790, 90.00, 107.88, 90.00
R / Rfree (%) 20.4 / 23.3

Other elements in 6ci9:

The structure of Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 17;

Binding sites:

The binding sites of Chlorine atom in the Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure (pdb code 6ci9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 17 binding sites of Chlorine where determined in the Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure, PDB code: 6ci9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 17 in 6ci9

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Chlorine binding site 1 out of 17 in the Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:31.6
occ:1.00
 CL D:CL303 2.8 33.2 1.0
O A:HOH477 3.1 42.8 1.0
NH1 A:ARG169 3.3 18.4 1.0
CB A:LEU165 3.7 13.5 1.0
CD1 A:LEU165 3.8 15.8 1.0
O A:ALA162 3.9 14.4 1.0
NH2 A:ARG169 4.0 16.2 1.0
CB A:PRO147 4.1 15.9 1.0
CB A:ALA162 4.1 17.8 1.0
CZ A:ARG169 4.1 18.7 1.0
CA A:PRO147 4.2 16.6 1.0
CA A:ALA162 4.2 16.9 1.0
CB D:ALA162 4.2 17.3 1.0
CG A:LEU165 4.3 16.4 1.0
C A:ALA162 4.5 14.3 1.0
CG A:PRO147 4.6 19.1 1.0
CA D:PRO147 4.7 20.3 1.0
O D:PRO147 4.8 17.9 1.0
N A:GLY166 4.9 19.3 1.0
CA A:LEU165 4.9 13.7 1.0
O A:PRO147 4.9 16.3 1.0

Chlorine binding site 2 out of 17 in 6ci9

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Chlorine binding site 2 out of 17 in the Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:82.8
occ:1.00
 CD2 A:TRP154 3.2 38.4 1.0
CE2 A:TRP154 3.2 40.1 1.0
CG A:TRP154 3.3 34.7 1.0
NE1 A:TRP154 3.3 38.2 1.0
O A:PRO152 3.3 35.1 1.0
CD1 A:TRP154 3.4 36.0 1.0
CD2 A:TYR151 3.4 37.1 1.0
CE2 A:TYR151 3.6 40.8 1.0
CB A:SER97 3.7 40.1 1.0
CE3 A:TRP154 3.8 37.9 1.0
CZ2 A:TRP154 3.9 41.4 1.0
C A:GLY153 4.0 31.2 1.0
CE A:MET198 4.0 83.5 1.0
CB A:TRP154 4.1 28.0 1.0
N A:TRP154 4.1 26.1 1.0
CA A:GLY153 4.1 32.0 1.0
O A:GLY153 4.3 32.4 1.0
C A:PRO152 4.3 35.4 1.0
O A:HOH539 4.3 45.2 1.0
CZ3 A:TRP154 4.4 40.0 1.0
CH2 A:TRP154 4.4 40.5 1.0
O A:HOH610 4.5 65.6 1.0
CG A:TYR151 4.6 35.7 1.0
OG A:SER97 4.6 45.4 1.0
O A:TYR151 4.6 31.4 1.0
CA A:TRP154 4.6 28.1 1.0
N A:GLY153 4.7 32.8 1.0
CA A:SER97 4.7 35.5 1.0
CZ A:TYR151 4.9 44.1 1.0

Chlorine binding site 3 out of 17 in 6ci9

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Chlorine binding site 3 out of 17 in the Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:37.0
occ:1.00
 CL C:CL303 3.0 31.2 1.0
O B:HOH522 3.0 41.1 1.0
NH1 B:ARG169 3.0 17.6 1.0
CB B:LEU165 3.6 18.2 1.0
NH2 B:ARG169 3.7 18.8 1.0
CD1 B:LEU165 3.7 21.7 1.0
CZ B:ARG169 3.8 20.4 1.0
O B:ALA162 3.9 19.2 1.0
CB B:ALA162 4.1 18.3 1.0
CG B:LEU165 4.2 21.0 1.0
CA B:ALA162 4.2 18.3 1.0
CB C:ALA162 4.2 17.6 1.0
CB B:PRO147 4.3 17.2 1.0
CA B:PRO147 4.4 17.2 1.0
C B:ALA162 4.5 18.6 1.0
N B:GLY166 4.6 20.4 1.0
CG B:PRO147 4.7 19.2 1.0
CA C:PRO147 4.7 21.7 1.0
CA B:LEU165 4.8 20.2 1.0
O C:PRO147 4.9 19.4 1.0
C B:LEU165 4.9 22.4 1.0
O C:GLY146 5.0 18.1 1.0

Chlorine binding site 4 out of 17 in 6ci9

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Chlorine binding site 4 out of 17 in the Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl303

b:31.2
occ:1.00
 CL B:CL303 3.0 37.0 1.0
O C:HOH413 3.1 46.7 1.0
NH1 C:ARG169 3.3 21.2 1.0
CB C:LEU165 3.8 19.1 1.0
CD1 C:LEU165 3.9 20.6 1.0
O C:ALA162 3.9 19.9 1.0
NH2 C:ARG169 4.0 23.7 1.0
CB C:ALA162 4.1 17.6 1.0
CZ C:ARG169 4.1 24.4 1.0
CA C:ALA162 4.1 21.1 1.0
CB B:ALA162 4.1 18.3 1.0
CB C:PRO147 4.2 22.4 1.0
CA C:PRO147 4.2 21.7 1.0
CG C:LEU165 4.3 21.2 1.0
C C:ALA162 4.5 20.5 1.0
CG C:PRO147 4.6 24.0 1.0
O B:HOH522 4.7 41.1 1.0
N C:GLY166 4.8 18.8 1.0
CA B:PRO147 4.8 17.2 1.0
O B:PRO147 4.9 21.8 1.0
CA C:LEU165 4.9 16.5 1.0
O B:GLY146 5.0 27.6 1.0

Chlorine binding site 5 out of 17 in 6ci9

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Chlorine binding site 5 out of 17 in the Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl303

b:33.2
occ:1.00
 CL A:CL303 2.8 31.6 1.0
NH1 D:ARG169 3.2 18.4 1.0
CB D:LEU165 3.7 21.7 1.0
NH2 D:ARG169 3.8 20.2 1.0
CD1 D:LEU165 3.9 18.9 1.0
CB D:PRO147 3.9 20.5 1.0
O D:ALA162 4.0 17.5 1.0
CZ D:ARG169 4.0 19.2 1.0
CB D:ALA162 4.0 17.3 1.0
CA D:ALA162 4.1 17.5 1.0
CA D:PRO147 4.1 20.3 1.0
CG D:LEU165 4.3 20.8 1.0
CB A:ALA162 4.3 17.8 1.0
CG D:PRO147 4.4 19.9 1.0
C D:ALA162 4.5 17.6 1.0
CA A:PRO147 4.8 16.6 1.0
N D:GLY166 4.8 20.4 1.0
O A:PRO147 4.9 16.3 1.0
CA D:LEU165 4.9 22.8 1.0
O A:HOH477 5.0 42.8 1.0

Chlorine binding site 6 out of 17 in 6ci9

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Chlorine binding site 6 out of 17 in the Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl303

b:37.0
occ:1.00
 CL H:CL303 2.9 34.6 1.0
NH1 E:ARG169 3.2 15.5 1.0
O H:HOH460 3.2 34.8 1.0
CB E:LEU165 3.7 17.7 1.0
NH2 E:ARG169 3.7 18.4 1.0
CD1 E:LEU165 3.7 22.3 1.0
O E:ALA162 3.9 19.2 1.0
CZ E:ARG169 3.9 16.4 1.0
CB E:ALA162 4.0 14.7 1.0
CA E:ALA162 4.1 16.5 1.0
CB E:PRO147 4.1 17.5 1.0
CG E:LEU165 4.2 18.3 1.0
CA E:PRO147 4.2 16.4 1.0
CB H:ALA162 4.2 17.5 1.0
C E:ALA162 4.4 17.6 1.0
CG E:PRO147 4.5 16.5 1.0
N E:GLY166 4.7 17.2 1.0
CA H:PRO147 4.9 22.4 1.0
CA E:LEU165 4.9 19.1 1.0
O H:PRO147 5.0 19.1 1.0
O E:PRO147 5.0 19.9 1.0
C E:LEU165 5.0 17.4 1.0

Chlorine binding site 7 out of 17 in 6ci9

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Chlorine binding site 7 out of 17 in the Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl303

b:33.5
occ:1.00
 CL G:CL303 2.9 33.7 1.0
O F:HOH410 3.2 43.6 1.0
NH1 F:ARG169 3.2 19.4 1.0
CB F:LEU165 3.7 15.2 1.0
CD1 F:LEU165 3.8 14.7 1.0
NH2 F:ARG169 3.8 14.4 1.0
O F:ALA162 4.0 15.7 1.0
CB F:PRO147 4.0 17.9 1.0
CZ F:ARG169 4.0 18.8 1.0
CB F:ALA162 4.0 20.9 1.0
CA F:PRO147 4.2 16.5 1.0
CA F:ALA162 4.2 19.9 1.0
CG F:LEU165 4.3 15.2 1.0
CB G:ALA162 4.3 19.3 1.0
CG F:PRO147 4.5 20.8 1.0
C F:ALA162 4.6 18.4 1.0
CA G:PRO147 4.8 19.0 1.0
O G:PRO147 4.8 20.6 1.0
N F:GLY166 4.9 19.0 1.0
CA F:LEU165 5.0 16.4 1.0

Chlorine binding site 8 out of 17 in 6ci9

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Chlorine binding site 8 out of 17 in the Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl303

b:33.7
occ:1.00
 CL F:CL303 2.9 33.5 1.0
NH1 G:ARG169 3.2 19.8 1.0
CB G:LEU165 3.6 23.6 1.0
CD1 G:LEU165 3.7 19.6 1.0
O F:HOH410 3.7 43.6 1.0
NH2 G:ARG169 3.9 21.8 1.0
O G:ALA162 3.9 19.5 1.0
CB G:ALA162 4.0 19.3 1.0
CZ G:ARG169 4.0 20.8 1.0
CB G:PRO147 4.0 21.8 1.0
CA G:ALA162 4.1 19.6 1.0
CG G:LEU165 4.1 21.1 1.0
CA G:PRO147 4.2 19.0 1.0
CB F:ALA162 4.2 20.9 1.0
CG G:PRO147 4.4 20.1 1.0
C G:ALA162 4.5 20.1 1.0
N G:GLY166 4.8 23.3 1.0
CA F:PRO147 4.8 16.5 1.0
CA G:LEU165 4.9 25.3 1.0
O G:PRO147 5.0 20.6 1.0

Chlorine binding site 9 out of 17 in 6ci9

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Chlorine binding site 9 out of 17 in the Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl303

b:34.6
occ:1.00
 O H:HOH460 2.7 34.8 1.0
CL E:CL303 2.9 37.0 1.0
NH1 H:ARG169 3.3 20.9 1.0
CB H:LEU165 3.8 18.5 1.0
NH2 H:ARG169 3.8 23.7 1.0
CD1 H:LEU165 3.9 20.1 1.0
CB H:PRO147 4.0 24.5 1.0
CZ H:ARG169 4.0 23.7 1.0
CB H:ALA162 4.1 17.5 1.0
O H:ALA162 4.1 18.3 1.0
CA H:ALA162 4.2 18.0 1.0
CA H:PRO147 4.2 22.4 1.0
CB E:ALA162 4.3 14.7 1.0
CG H:LEU165 4.3 19.2 1.0
CG H:PRO147 4.5 23.4 1.0
C H:ALA162 4.6 18.6 1.0
CA E:PRO147 4.8 16.4 1.0
O E:PRO147 4.8 19.9 1.0
N H:GLY166 4.9 18.1 1.0
CA H:LEU165 5.0 16.9 1.0

Chlorine binding site 10 out of 17 in 6ci9

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Chlorine binding site 10 out of 17 in the Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Rmm Microcompartment-Associated Aminopropanol Dehydrogenase Nadp + Aminoacetone Holo-Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl303

b:65.5
occ:1.00
 CL J:CL303 3.1 56.4 1.0
NH1 I:ARG169 3.2 37.4 1.0
NH2 I:ARG169 3.4 41.9 1.0
CD1 I:LEU165 3.4 33.0 1.0
CB I:LEU165 3.5 31.7 1.0
CZ I:ARG169 3.7 38.7 1.0
CG I:LEU165 4.0 33.4 1.0
O I:ALA162 4.1 28.9 1.0
CB I:PRO147 4.2 27.5 1.0
CB I:ALA162 4.3 30.6 1.0
CA I:ALA162 4.3 31.0 1.0
CA I:PRO147 4.4 28.4 1.0
CB J:ALA162 4.4 31.4 1.0
CG I:PRO147 4.6 28.3 1.0
C I:ALA162 4.7 29.2 1.0
O J:PRO147 4.7 30.1 1.0
CA J:PRO147 4.7 32.4 1.0
N I:GLY166 4.8 31.9 1.0
CA I:LEU165 4.8 32.3 1.0
C I:LEU165 5.0 33.1 1.0
O J:GLY146 5.0 33.2 1.0

Reference:

E.Mallette, M.S.Kimber. Structure and Kinetics of the S-(+)-1-Amino-2-Propanol Dehydrogenase From the Rmm Microcompartment of Mycobacterium Smegmatis. Biochemistry V. 57 3780 2018.
ISSN: ISSN 1520-4995
PubMed: 29757625
DOI: 10.1021/ACS.BIOCHEM.8B00464
Page generated: Fri Jul 26 23:31:20 2024

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