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Iodine in PDB 4zu2: Pseudomonas Aeruginosa Atue

Protein crystallography data

The structure of Pseudomonas Aeruginosa Atue, PDB code: 4zu2 was solved by N.Poudel, J.Pfannstiel, O.Simon, N.Walter, D.Jendrossek, A.C.Papageorgiou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.69 / 2.15
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 108.440, 133.970, 83.350, 90.00, 139.46, 90.00
R / Rfree (%) 19.8 / 25.7

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Iodine atom in the Pseudomonas Aeruginosa Atue (pdb code 4zu2). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 14 binding sites of Iodine where determined in the Pseudomonas Aeruginosa Atue, PDB code: 4zu2:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 14 in 4zu2

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Iodine binding site 1 out of 14 in the Pseudomonas Aeruginosa Atue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Pseudomonas Aeruginosa Atue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I301

b:78.0
occ:1.00
 O A:ALA245 3.3 56.0 1.0
O A:HOH434 4.0 27.3 1.0
CG1 A:VAL261 4.2 41.5 1.0
C A:ALA245 4.2 49.4 1.0
CA A:GLU246 4.3 40.8 1.0
CE3 A:TRP262 4.4 29.7 1.0
CZ3 A:TRP262 4.4 29.1 1.0
CB A:GLU249 4.4 36.8 1.0
CG A:GLU246 4.5 47.3 1.0
CG A:GLU249 4.5 36.4 1.0
CB A:GLU246 4.6 46.6 1.0
N A:GLU246 4.7 47.1 1.0

Iodine binding site 2 out of 14 in 4zu2

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Iodine binding site 2 out of 14 in the Pseudomonas Aeruginosa Atue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Pseudomonas Aeruginosa Atue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I302

b:27.6
occ:1.00
 O A:HOH480 3.5 13.7 1.0
CD A:GLU139 3.7 21.1 1.0
CG A:GLU139 3.7 18.2 1.0
OE2 A:GLU139 3.9 20.3 1.0
OE1 A:GLU139 4.1 22.6 1.0
N A:GLU139 4.2 17.2 1.0
CD A:PRO138 4.2 13.7 1.0
CA A:GLU139 4.3 8.9 1.0
CB A:PRO138 4.3 21.9 1.0
CG A:PRO138 4.4 20.0 1.0
O A:HOH508 4.5 29.8 1.0
C A:PRO138 4.5 17.8 1.0
CB A:GLU139 4.6 10.9 1.0
CA A:GLY115 4.6 26.1 1.0
CD1 A:ILE144 4.7 23.2 1.0
CD2 A:LEU142 4.7 33.9 1.0
N A:PRO138 4.8 14.7 1.0
CA A:PRO138 4.8 19.7 1.0
O A:HOH474 5.0 18.4 1.0

Iodine binding site 3 out of 14 in 4zu2

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Iodine binding site 3 out of 14 in the Pseudomonas Aeruginosa Atue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Pseudomonas Aeruginosa Atue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I303

b:28.4
occ:1.00
 O B:HOH461 3.2 11.2 1.0
NH1 A:ARG77 3.8 24.7 1.0
CA A:GLY80 4.0 19.0 1.0
CE2 A:TYR84 4.1 30.0 1.0
N A:ALA81 4.1 12.6 1.0
CA B:GLY243 4.1 12.8 1.0
C A:GLY80 4.2 13.0 1.0
CD2 A:TYR84 4.2 24.9 1.0
CA A:ALA81 4.7 16.3 1.0
O A:ARG77 4.7 35.0 1.0
O A:GLY80 4.8 18.7 1.0
N B:GLY243 4.8 20.9 1.0
CA A:ARG77 4.8 25.1 1.0
CG A:ARG77 4.9 28.6 1.0
N A:GLY80 4.9 18.0 1.0
CD A:ARG77 5.0 26.6 1.0

Iodine binding site 4 out of 14 in 4zu2

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Iodine binding site 4 out of 14 in the Pseudomonas Aeruginosa Atue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Pseudomonas Aeruginosa Atue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I304

b:26.4
occ:1.00
 O A:HOH474 3.1 18.4 1.0
ND2 A:ASN88 3.5 20.2 1.0
N A:GLN148 3.5 12.8 1.0
N A:ALA147 3.6 13.4 1.0
CB A:GLN148 3.9 13.0 1.0
CE2 A:PHE91 3.9 21.1 1.0
CD1 A:ILE149 3.9 13.5 1.0
N A:ILE149 3.9 15.0 1.0
C A:PRO146 4.0 12.1 1.0
CG1 A:ILE149 4.0 16.0 1.0
CD2 A:PHE91 4.1 21.6 1.0
CA A:GLN148 4.2 16.1 1.0
CG A:GLN148 4.2 21.9 1.0
CA A:PRO146 4.2 15.3 1.0
O A:LEU145 4.2 13.7 1.0
CA A:ALA147 4.5 12.4 1.0
C A:ALA147 4.5 13.8 1.0
C A:GLN148 4.5 20.3 1.0
CG A:ASN88 4.6 17.6 1.0
CB A:ILE149 4.7 12.2 1.0
OD1 A:ASN88 4.8 15.2 1.0
O A:PRO146 4.8 16.5 1.0
CB A:ALA147 4.8 15.2 1.0
CE1 B:PHE238 4.8 20.7 1.0
OE2 A:GLU139 4.9 20.3 1.0
CA A:ILE149 4.9 6.4 1.0
CD1 B:PHE238 5.0 20.8 1.0

Iodine binding site 5 out of 14 in 4zu2

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Iodine binding site 5 out of 14 in the Pseudomonas Aeruginosa Atue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Pseudomonas Aeruginosa Atue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I305

b:62.8
occ:1.00
 O A:HOH487 2.6 37.0 1.0
NH1 A:ARG40 3.3 9.3 1.0
O A:HOH521 3.4 15.9 1.0
O A:HOH533 3.4 24.9 1.0
CA A:GLY37 3.9 27.5 1.0
CD A:ARG40 4.0 15.2 1.0
CB A:ALA90 4.2 19.2 1.0
N A:GLY37 4.2 29.7 1.0
CZ A:ARG40 4.4 13.0 1.0
CG1 A:VAL36 4.4 17.4 1.0
NE A:ARG40 4.6 16.1 1.0
C A:VAL36 4.6 27.3 1.0
O A:VAL36 4.8 24.9 1.0

Iodine binding site 6 out of 14 in 4zu2

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Iodine binding site 6 out of 14 in the Pseudomonas Aeruginosa Atue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Pseudomonas Aeruginosa Atue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I306

b:0.9
occ:1.00
 O A:GLU15 2.8 54.4 1.0
O A:HOH457 3.2 44.4 1.0
C A:GLU15 3.7 51.8 1.0
CB A:PRO13 3.8 31.1 1.0
C A:GLY16 3.8 39.1 1.0
N A:VAL17 3.8 30.9 1.0
O A:VAL17 3.9 34.5 1.0
C A:VAL17 4.0 33.0 1.0
CA A:GLY16 4.0 43.0 1.0
CG2 A:VAL52 4.0 29.1 1.0
N A:LEU18 4.2 32.4 1.0
CA A:PRO13 4.2 30.4 1.0
O A:GLY16 4.2 43.4 1.0
N A:GLY16 4.2 49.3 1.0
C A:PRO13 4.4 41.0 1.0
CB A:LEU18 4.5 30.6 1.0
CA A:VAL17 4.5 30.5 1.0
N A:GLU15 4.5 43.0 1.0
CA A:LEU18 4.5 30.2 1.0
CG1 A:VAL52 4.6 32.1 1.0
N A:ILE14 4.6 37.8 1.0
CB A:VAL52 4.7 31.6 1.0
CA A:VAL52 4.7 23.6 1.0
CA A:GLU15 4.7 51.8 1.0
C A:ILE14 4.7 36.4 1.0
O A:SER51 4.8 37.1 1.0
O A:PRO13 4.9 44.3 1.0

Iodine binding site 7 out of 14 in 4zu2

Go back to Iodine Binding Sites List in 4zu2
Iodine binding site 7 out of 14 in the Pseudomonas Aeruginosa Atue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Pseudomonas Aeruginosa Atue within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I301

b:43.4
occ:1.00
 O B:HOH483 3.0 52.1 1.0
O B:HOH487 3.4 25.6 1.0
CD B:GLU139 3.8 28.1 1.0
CG B:GLU139 3.9 29.3 1.0
OE2 B:GLU139 4.0 35.3 1.0
CB B:PRO138 4.0 36.7 1.0
CD2 B:LEU142 4.1 52.8 1.0
N B:GLU139 4.1 35.6 1.0
OE1 B:GLU139 4.2 25.2 1.0
CA B:GLU139 4.3 33.5 1.0
CA B:GLY115 4.4 32.8 1.0
CG B:PRO138 4.4 34.3 1.0
CD B:PRO138 4.5 32.2 1.0
C B:PRO138 4.6 38.6 1.0
O B:HOH500 4.7 44.8 1.0
O B:HOH433 4.7 31.7 1.0
CB B:GLU139 4.7 28.8 1.0
CA B:PRO138 4.7 33.6 1.0
CD1 B:ILE144 4.8 44.6 1.0
N B:PRO138 4.8 32.2 1.0

Iodine binding site 8 out of 14 in 4zu2

Go back to Iodine Binding Sites List in 4zu2
Iodine binding site 8 out of 14 in the Pseudomonas Aeruginosa Atue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Pseudomonas Aeruginosa Atue within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I302

b:39.6
occ:1.00
 O B:HOH433 3.3 31.7 1.0
N B:GLN148 3.5 24.2 1.0
N B:ALA147 3.5 34.4 1.0
CE2 B:PHE91 3.7 28.0 1.0
ND2 B:ASN88 3.8 28.0 1.0
CD2 B:PHE91 4.0 27.7 1.0
CB B:GLN148 4.0 26.0 1.0
C B:PRO146 4.1 28.6 1.0
N B:ILE149 4.1 32.7 1.0
O B:LEU145 4.1 33.9 1.0
CA B:GLN148 4.2 28.5 1.0
CG1 B:ILE149 4.2 29.2 1.0
CA B:PRO146 4.3 30.0 1.0
CG B:GLN148 4.3 29.3 1.0
CA B:ALA147 4.4 31.8 1.0
C B:ALA147 4.4 25.9 1.0
O B:HOH540 4.5 28.3 1.0
CD1 B:ILE149 4.6 30.8 1.0
OE2 B:GLU139 4.6 35.3 1.0
C B:GLN148 4.7 29.6 1.0
CB B:ALA147 4.7 31.2 1.0
CG B:ASN88 4.8 28.1 1.0
CZ B:PHE91 4.8 26.8 1.0
OD1 B:ASN88 4.9 30.0 1.0
CB B:ILE149 4.9 28.6 1.0
O B:PRO146 4.9 27.6 1.0
CE1 C:PHE238 4.9 38.0 1.0

Iodine binding site 9 out of 14 in 4zu2

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Iodine binding site 9 out of 14 in the Pseudomonas Aeruginosa Atue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Pseudomonas Aeruginosa Atue within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I303

b:56.5
occ:1.00
 O B:GLU15 3.1 53.5 1.0
O B:HOH409 3.3 34.2 1.0
CB B:PRO13 3.8 29.1 1.0
O B:VAL17 3.8 37.7 1.0
C B:GLU15 3.9 47.2 1.0
C B:GLY16 4.0 40.4 1.0
N B:VAL17 4.0 40.9 1.0
C B:VAL17 4.0 35.0 1.0
CA B:GLY16 4.0 41.1 1.0
CA B:PRO13 4.0 38.1 1.0
N B:ILE14 4.1 44.2 1.0
C B:PRO13 4.2 43.4 1.0
O B:ILE14 4.2 43.0 1.0
CG2 B:VAL52 4.3 32.6 1.0
N B:LEU18 4.3 32.5 1.0
N B:GLY16 4.4 40.8 1.0
C B:ILE14 4.4 44.2 1.0
CB B:LEU18 4.5 30.7 1.0
O B:GLY16 4.5 37.8 1.0
CA B:LEU18 4.6 33.8 1.0
CA B:VAL17 4.6 38.1 1.0
O B:SER51 4.7 32.8 1.0
CA B:VAL52 4.7 37.4 1.0
N B:GLU15 4.8 46.0 1.0
O B:PRO13 4.8 44.3 1.0
CG1 B:VAL52 4.8 28.3 1.0
CB B:VAL52 4.9 32.2 1.0
CA B:ILE14 4.9 45.3 1.0

Iodine binding site 10 out of 14 in 4zu2

Go back to Iodine Binding Sites List in 4zu2
Iodine binding site 10 out of 14 in the Pseudomonas Aeruginosa Atue


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Pseudomonas Aeruginosa Atue within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I304

b:56.7
occ:1.00
 CG1 B:VAL261 3.7 35.8 1.0
O B:ALA245 4.0 17.9 1.0
CA B:GLU246 4.1 25.8 1.0
CG B:GLU246 4.2 21.6 1.0
C B:ALA245 4.2 21.9 1.0
CE3 B:TRP262 4.3 19.3 1.0
N B:GLU246 4.4 19.5 1.0
CZ3 B:TRP262 4.4 16.5 1.0
CB B:GLU249 4.4 14.0 1.0
CG B:GLU249 4.5 25.2 1.0
CB B:ALA245 4.8 30.2 1.0
CB B:GLU246 4.8 25.3 1.0
O B:HOH480 4.8 17.3 1.0

Reference:

N.Poudel, J.Pfannstiel, O.Simon, N.Walter, A.C.Papageorgiou, D.Jendrossek. The Pseudomonas Aeruginosa Isohexenyl Glutaconyl Coenzyme A Hydratase (Atue) Is Upregulated in Citronellate-Grown Cells and Belongs to the Crotonase Family. Appl.Environ.Microbiol. V. 81 6558 2015.
ISSN: ESSN 1098-5336
PubMed: 26162879
DOI: 10.1128/AEM.01686-15
Page generated: Sun Aug 11 20:27:58 2024

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