Chlorine in PDB 7pps: Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A

Enzymatic activity of Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A

All present enzymatic activity of Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A:
2.3.1.41;

Protein crystallography data

The structure of Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A, PDB code: 7pps was solved by C.Georgiou, R.Brenk, V.Yadrykhinsky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.19 / 1.30
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 74.228, 102.304, 188.774, 90, 90, 90
R / Rfree (%) 11.4 / 13.7

Other elements in 7pps:

The structure of Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A also contains other interesting chemical elements:

Iodine (I) 11 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A (pdb code 7pps). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A, PDB code: 7pps:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 7pps

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Chlorine binding site 1 out of 6 in the Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl519

b:25.6
occ:1.00
 O A:HOH766 2.9 34.5 1.0
O2 A:EDO502 3.1 14.4 1.0
NE2 A:HIS331 3.1 13.4 1.0
NE2 A:HIS296 3.2 16.4 1.0
CE1 A:HIS296 3.4 13.9 1.0
C2 A:EDO502 3.6 19.4 1.0
O A:PHE389 3.7 29.3 1.0
CB A:ALA161 3.8 17.8 1.0
CD2 A:HIS331 3.9 13.4 1.0
CG2 A:THR298 4.1 14.8 1.0
CE1 A:HIS331 4.2 12.7 1.0
CE1 A:PHE391 4.3 20.5 1.0
O A:HOH751 4.3 27.5 1.0
O A:HOH790 4.6 23.4 0.5
CD2 A:HIS296 4.6 16.0 1.0
CD1 A:PHE391 4.6 16.6 1.0
ND1 A:HIS296 4.7 16.0 1.0
CA A:GLY390 4.8 15.2 1.0
C A:PHE389 4.9 17.9 1.0
CZ A:PHE391 4.9 19.0 1.0

Chlorine binding site 2 out of 6 in 7pps

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Chlorine binding site 2 out of 6 in the Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl520

b:57.7
occ:0.75
 NE A:ARG309 3.1 43.3 1.0
O A:HOH835 3.5 43.2 0.5
O A:SER271 3.6 36.3 1.0
N A:GLU273 3.8 23.8 1.0
CD A:ARG309 3.9 38.3 1.0
C A:GLY272 3.9 23.5 1.0
CA A:GLY272 4.0 26.4 1.0
NH2 A:ARG309 4.0 27.9 1.0
CZ A:ARG309 4.0 36.1 1.0
CG A:ARG309 4.3 32.8 1.0
CD1 A:ILE276 4.3 20.7 1.0
O A:HOH832 4.3 40.3 1.0
CA A:GLU273 4.5 22.8 1.0
O A:GLY272 4.6 22.1 1.0
C A:SER271 4.6 31.2 1.0
N A:GLY272 4.7 26.5 1.0
CB A:GLU273 4.8 26.4 1.0

Chlorine binding site 3 out of 6 in 7pps

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Chlorine binding site 3 out of 6 in the Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl512

b:18.6
occ:1.00
 O B:HOH792 2.8 25.8 1.0
O2 B:EDO503 3.0 14.3 1.0
NE2 B:HIS331 3.2 12.9 1.0
NE2 B:HIS296 3.3 20.2 1.0
C2 B:EDO503 3.4 18.9 1.0
CE1 B:HIS296 3.5 16.1 1.0
O B:PHE389 3.6 21.3 1.0
CD2 B:HIS331 3.9 13.6 1.0
CB B:ALA161 4.0 16.9 1.0
CG2 B:THR298 4.2 12.9 1.0
CE1 B:HIS331 4.3 12.4 1.0
CE1 B:PHE391 4.4 20.6 1.0
CD2 B:HIS296 4.6 16.8 1.0
CD1 B:PHE391 4.6 16.9 1.0
CA B:GLY390 4.6 12.7 1.0
C B:PHE389 4.7 14.8 1.0
O B:HOH766 4.8 40.8 1.0
ND1 B:HIS296 4.8 18.1 1.0
N B:PHE391 4.9 12.9 1.0
C1 B:EDO503 4.9 20.9 1.0

Chlorine binding site 4 out of 6 in 7pps

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Chlorine binding site 4 out of 6 in the Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl513

b:26.8
occ:1.00
 O1 B:EDO503 2.6 20.7 1.0
O B:HOH825 2.9 35.5 1.0
C1 B:EDO503 3.3 20.9 1.0
O A:HOH702 3.5 14.0 1.0
CA B:GLY105 3.5 11.8 1.0
C B:GLY105 3.7 11.8 1.0
CA B:ALA160 3.8 11.3 1.0
O B:GLY105 3.9 15.9 1.0
CB A:MET136 3.9 12.4 1.0
CB B:ALA160 4.2 12.5 1.0
N B:GLY106 4.3 13.9 1.0
CZ B:PHE199 4.5 12.0 1.0
C B:ALA160 4.5 10.4 1.0
SD A:MET136 4.6 13.3 1.0
N B:ALA160 4.6 10.6 1.0
C2 B:EDO503 4.7 18.9 1.0
CG A:MET136 4.8 12.4 1.0
N B:GLY105 4.9 10.3 1.0
CB B:LEU333 4.9 10.6 1.0
CA A:MET136 4.9 11.3 1.0
O B:ALA160 5.0 11.2 1.0
CD1 B:LEU333 5.0 13.8 1.0

Chlorine binding site 5 out of 6 in 7pps

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Chlorine binding site 5 out of 6 in the Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl514

b:32.3
occ:1.00
 O B:HOH738 3.4 21.9 1.0
CE B:LYS125 3.7 40.6 1.0
CD B:ARG126 4.0 24.9 1.0
CG B:ARG126 4.0 29.6 1.0
O B:HOH710 4.1 26.4 1.0
NZ B:LYS125 4.4 43.1 1.0
CB B:LYS125 4.4 21.6 1.0
O B:HOH782 4.6 25.0 1.0
CD B:LYS125 4.8 33.5 1.0

Chlorine binding site 6 out of 6 in 7pps

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Chlorine binding site 6 out of 6 in the Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl515

b:37.7
occ:0.75
 O B:HOH843 2.6 39.7 1.0
OE2 B:GLU374 3.0 31.8 1.0
N B:ARG373 3.2 17.5 1.0
O B:HOH606 3.5 32.7 1.0
O B:ILE371 3.8 18.0 1.0
CB B:ARG373 3.8 20.5 1.0
CD B:GLU374 3.8 28.8 1.0
OE1 B:GLU374 4.0 33.9 1.0
CA B:LEU372 4.0 16.6 1.0
CG B:ARG373 4.1 20.4 1.0
CA B:ARG373 4.1 18.2 1.0
C B:LEU372 4.1 16.5 1.0
O B:HOH836 4.2 47.4 1.0
CD B:ARG373 4.3 22.4 1.0
O B:HOH672 4.5 27.5 1.0
N B:GLU374 4.5 19.4 1.0
C B:ILE371 4.7 16.0 1.0
C B:ARG373 4.7 19.1 1.0
N B:LEU372 4.9 15.6 1.0
CB B:LEU372 4.9 21.2 1.0

Reference:

C.Georgiou, R.Brenk, V.Yadrykhinsky. Crystal Structure of Pseudomonas Aeruginosa Fabb, A Template For Structure-Based Design For New Antibiotics To Be Published.
Page generated: Tue Jul 30 02:36:37 2024

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