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Iodine 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:

Chlorine (Cl) 6 atoms

Iodine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Iodine 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 Iodine atom.
In total 11 binding sites of Iodine where determined in the Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A, PDB code: 7pps:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 11 in 7pps

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Iodine binding site 1 out of 11 in the Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I 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:I510

b:28.9
occ:0.60
 N A:ASP287 3.5 23.4 1.0
N A:ALA288 3.8 24.4 1.0
CD A:LYS401 3.9 23.0 1.0
CA A:VAL286 4.2 21.1 1.0
CB A:ALA288 4.2 26.1 1.0
CG1 A:VAL286 4.2 21.0 1.0
CA A:ASP287 4.3 26.2 1.0
C A:VAL286 4.3 22.9 1.0
CG1 A:VAL256 4.4 18.9 1.0
CB A:ASP287 4.4 32.5 1.0
CE A:LYS401 4.4 25.2 1.0
CB A:VAL256 4.5 16.0 1.0
C A:ASP287 4.5 25.8 1.0
CG2 A:VAL256 4.6 16.9 1.0
CA A:ALA288 4.7 24.1 1.0
O A:THR285 4.7 22.8 1.0
CB A:VAL286 4.8 19.7 1.0
OD2 A:ASP287 5.0 48.4 1.0

Iodine binding site 2 out of 11 in 7pps

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Iodine binding site 2 out of 11 in the Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I 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:I511

b:32.6
occ:0.43
 C A:THR212 3.6 15.7 1.0
CA A:THR212 3.6 17.6 1.0
N A:GLU214 3.7 15.4 1.0
CB A:GLU214 3.8 18.1 1.0
O A:HOH830 3.9 39.3 0.5
N A:PRO213 3.9 16.0 1.0
CB A:THR212 3.9 19.6 1.0
O A:THR212 4.1 15.7 1.0
CD A:PRO213 4.1 18.1 1.0
CG A:GLU214 4.3 25.2 1.0
CA A:GLU214 4.3 15.1 1.0
CG2 A:THR212 4.6 21.7 1.0
CG A:LYS215 4.6 23.6 1.0
C A:PRO213 4.7 15.5 1.0
N A:LYS215 4.7 14.2 1.0
CD A:GLU214 4.7 32.2 1.0
O A:HOH803 4.8 55.5 1.0
CA A:PRO213 4.8 15.8 1.0
C A:GLU214 4.9 14.4 1.0
N A:THR212 5.0 18.6 1.0

Iodine binding site 3 out of 11 in 7pps

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Iodine binding site 3 out of 11 in the Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I 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
A:I512

b:30.1
occ:0.30
 CG A:LYS125 3.6 26.4 1.0
CE A:LYS125 3.6 26.5 1.0
O A:HOH833 3.7 42.0 1.0
CA A:ARG126 3.9 12.7 1.0
O A:HOH827 3.9 48.2 1.0
N A:ARG126 4.0 13.2 1.0
O A:HOH723 4.0 29.9 1.0
CD A:LYS125 4.0 26.1 1.0
C A:LYS125 4.0 13.9 1.0
CD A:ARG126 4.1 20.4 1.0
CB A:LYS125 4.2 21.1 1.0
O A:LYS125 4.2 16.4 1.0
CB A:ARG126 4.3 13.2 1.0
NZ A:LYS125 4.6 25.2 1.0
O A:HOH724 4.8 22.6 1.0
CA A:LYS125 4.8 16.8 1.0
CG A:ARG126 4.8 17.9 1.0

Iodine binding site 4 out of 11 in 7pps

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Iodine binding site 4 out of 11 in the Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I 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
A:I513

b:28.3
occ:0.30
 O A:HOH804 3.6 27.8 1.0
N A:GLY303 3.7 18.0 1.0
CB A:VAL302 4.0 22.7 1.0
OG1 A:THR300 4.1 23.7 1.0
O A:HOH840 4.1 47.0 0.5
CA A:GLY303 4.1 18.2 1.0
CA A:ALA269 4.2 31.9 1.0
CG1 A:VAL302 4.2 24.7 1.0
CD A:PRO270 4.3 39.9 0.5
CD A:PRO270 4.3 34.7 0.5
CB A:ALA269 4.3 32.8 1.0
O A:VAL268 4.4 31.1 1.0
O A:HOH790 4.4 23.4 0.5
CB A:THR300 4.5 18.1 1.0
C A:VAL302 4.5 19.0 1.0
CA A:VAL302 4.7 18.8 1.0
N A:VAL302 4.8 18.7 1.0
N A:ALA269 4.9 26.4 1.0
C A:VAL268 4.9 26.6 1.0
CG2 A:VAL302 5.0 25.2 1.0

Iodine binding site 5 out of 11 in 7pps

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Iodine binding site 5 out of 11 in the Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I 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
A:I514

b:28.7
occ:0.30
 OD1 A:ASN36 3.5 16.0 1.0
CD A:PRO37 3.7 17.8 1.0
N A:SER38 3.8 15.8 1.0
NH1 A:ARG34 3.8 27.8 0.5
CB A:SER38 3.9 16.6 1.0
OG A:SER38 4.0 18.4 1.0
NH2 A:ARG34 4.0 28.2 0.5
CG A:ASN36 4.1 15.3 1.0
N A:PRO37 4.2 16.1 1.0
CG A:PRO37 4.3 23.6 1.0
CZ A:ARG34 4.4 26.5 0.5
ND2 A:ASN36 4.5 14.4 1.0
CA A:SER38 4.5 15.2 1.0
O A:HOH621 4.5 52.8 1.0
O A:HOH665 4.6 21.1 1.0
CB A:PRO37 4.7 21.0 1.0
C A:ASN36 4.7 14.8 1.0
CA A:ASN36 4.7 14.2 1.0
C A:PRO37 4.8 16.3 1.0
CA A:PRO37 4.8 17.1 1.0

Iodine binding site 6 out of 11 in 7pps

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Iodine binding site 6 out of 11 in the Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I 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
A:I515

b:20.1
occ:0.30
 O A:HOH725 2.9 41.3 1.0
N A:ARG373 3.2 15.2 1.0
N A:GLU374 3.9 15.8 1.0
CB A:ARG373 3.9 18.6 1.0
CA A:ARG373 4.0 16.0 1.0
CD1 A:LEU372 4.0 16.8 1.0
C A:LEU372 4.1 14.8 1.0
CA A:LEU372 4.1 14.7 1.0
CG A:GLU374 4.3 18.3 0.5
C A:ARG373 4.3 17.1 1.0
O A:ILE371 4.5 16.0 1.0
CG A:ARG373 4.6 20.0 1.0
CB A:GLU374 4.6 18.2 0.5
C1 A:EDO501 4.6 19.0 1.0
OE2 A:GLU374 4.6 23.9 0.5
CG A:LEU372 4.7 15.5 1.0
O A:GLU374 4.8 16.1 1.0
CG A:GLU374 4.8 22.0 0.5
CA A:GLU374 4.8 15.8 0.5
CA A:GLU374 4.9 15.2 0.5
CB A:LEU372 5.0 16.0 1.0
CD A:GLU374 5.0 21.1 0.5

Iodine binding site 7 out of 11 in 7pps

Go back to Iodine Binding Sites List in 7pps
Iodine binding site 7 out of 11 in the Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I516

b:32.6
occ:0.30
 NH1 A:ARG373 3.2 32.4 1.0
N A:LEU362 3.3 16.8 1.0
NH2 A:ARG373 3.5 29.4 1.0
CA A:GLU361 3.8 19.1 1.0
CZ A:ARG373 3.8 27.6 1.0
C A:GLU361 4.0 17.2 1.0
CB A:LEU362 4.1 18.4 1.0
O A:ASP360 4.1 23.9 1.0
CA A:LEU362 4.3 17.0 1.0
N A:GLU361 4.5 19.4 1.0
C A:ASP360 4.6 21.9 1.0
O A:HOH693 4.8 45.6 1.0
CB A:GLU361 4.8 20.8 1.0
O A:LEU362 4.8 20.1 1.0

Iodine binding site 8 out of 11 in 7pps

Go back to Iodine Binding Sites List in 7pps
Iodine binding site 8 out of 11 in the Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I517

b:36.4
occ:0.25
 O A:HOH796 2.9 28.0 1.0
O A:HOH749 4.0 16.8 1.0
O A:HOH805 4.0 47.6 1.0
CA A:GLY128 4.1 14.5 1.0
CD2 A:TYR130 4.1 20.9 1.0
CD A:PRO129 4.2 15.6 1.0
CE2 A:TYR130 4.3 23.8 1.0
O A:HOH827 4.4 48.2 1.0
N A:PRO129 4.8 13.9 1.0
C A:GLY128 4.9 13.1 1.0
O A:ILE127 5.0 15.0 1.0

Iodine binding site 9 out of 11 in 7pps

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Iodine binding site 9 out of 11 in the Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I518

b:39.6
occ:0.25
 O A:HOH605 3.0 51.0 1.0
NH2 A:ARG309 3.2 27.9 1.0
NH1 A:ARG309 3.5 50.7 1.0
CZ A:ARG309 3.7 36.1 1.0
CB A:ALA306 4.5 19.2 1.0
CG1 A:VAL302 4.5 24.7 1.0
CA A:ALA306 4.9 20.1 1.0

Iodine binding site 10 out of 11 in 7pps

Go back to Iodine Binding Sites List in 7pps
Iodine binding site 10 out of 11 in the Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Apo Fabb From Pseudomonas Aeruginosa with Single Point Mutation C161A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I510

b:25.3
occ:0.57
 N B:ASP287 3.6 18.3 1.0
N B:ALA288 3.9 17.7 1.0
CD B:LYS401 3.9 19.5 1.0
CA B:VAL286 4.2 14.5 1.0
CB B:ALA288 4.2 19.6 1.0
CG1 B:VAL286 4.2 16.3 1.0
C B:VAL286 4.4 15.0 1.0
CE B:LYS401 4.4 22.5 1.0
CG1 B:VAL256 4.4 13.6 1.0
CA B:ASP287 4.5 22.0 1.0
CB B:VAL256 4.5 12.6 1.0
CG2 B:VAL256 4.6 12.8 1.0
C B:ASP287 4.6 20.1 1.0
CB B:ASP287 4.7 27.1 1.0
O B:THR285 4.7 15.9 1.0
CA B:ALA288 4.7 17.4 1.0
CB B:VAL286 4.8 14.7 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: Mon Aug 12 01:54:54 2024

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