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Iodine in PDB 4fd7: Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt

Enzymatic activity of Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt

All present enzymatic activity of Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt:
2.3.1.87;

Protein crystallography data

The structure of Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt, PDB code: 4fd7 was solved by Q.Han, R.Robinson, J.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 126.671, 89.281, 92.442, 90.00, 96.16, 90.00
R / Rfree (%) 22.6 / 27

Iodine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt (pdb code 4fd7). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 14 binding sites of Iodine where determined in the Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt, PDB code: 4fd7:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 14 in 4fd7

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Iodine binding site 1 out of 14 in the Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I301

b:28.4
occ:0.98
 O A:HOH442 3.2 16.3 1.0
NH1 A:ARG40 3.5 22.1 1.0
N A:ILE98 3.7 20.4 1.0
CG1 A:ILE98 3.9 20.0 1.0
CB A:ILE98 4.0 18.0 1.0
CD1 A:ILE98 4.1 19.3 1.0
CB A:ASP43 4.2 20.7 1.0
CG A:ASP43 4.4 21.3 1.0
CG A:GLU97 4.4 27.5 1.0
CA A:ILE98 4.5 18.6 1.0
CA A:GLU97 4.5 24.9 1.0
C A:GLU97 4.6 20.1 1.0
O A:HOH492 4.6 27.0 1.0
OD2 A:ASP43 4.6 24.4 1.0
O A:HOH543 4.8 34.9 1.0
CZ A:ARG40 4.8 20.2 1.0
OD1 A:ASP43 4.9 23.4 1.0

Iodine binding site 2 out of 14 in 4fd7

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Iodine binding site 2 out of 14 in the Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I302

b:25.9
occ:0.85
 OG A:SER110 3.7 28.1 1.0
N A:SER110 3.9 22.5 1.0
CE1 A:HIS146 4.1 20.2 1.0
N A:ARG109 4.1 17.6 1.0
CB A:SER110 4.1 26.9 1.0
CB A:ARG109 4.2 18.1 1.0
CB A:ASP145 4.2 17.5 1.0
O A:ASP145 4.4 17.4 1.0
CB A:SER108 4.4 19.9 1.0
CA A:ARG109 4.6 20.2 1.0
NE2 A:HIS146 4.6 22.0 1.0
CG A:ASP145 4.7 20.6 1.0
CA A:SER110 4.7 23.7 1.0
C A:ARG109 4.7 22.8 1.0
ND1 A:HIS146 4.8 19.0 1.0
C A:SER108 4.9 19.6 1.0

Iodine binding site 3 out of 14 in 4fd7

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Iodine binding site 3 out of 14 in the Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I303

b:27.4
occ:0.50
 O A:HOH536 2.3 9.2 1.0
O A:HOH593 2.5 35.8 1.0
O A:HOH517 3.2 31.9 1.0
O A:GLY180 3.8 19.7 1.0
CG A:LYS182 4.0 20.7 1.0
N A:LYS182 4.0 15.5 1.0
CA A:LEU181 4.2 15.3 1.0
O A:HIS146 4.4 15.8 1.0
CD2 A:LEU181 4.4 14.2 1.0
CD2 A:HIS146 4.5 19.2 1.0
CB A:HIS146 4.5 17.1 1.0
CD A:LYS182 4.6 25.8 1.0
C A:LEU181 4.6 18.4 1.0
CB A:LYS182 4.7 19.1 1.0
CE A:LYS182 4.7 24.1 1.0
N A:HIS146 4.7 16.1 1.0
C A:GLY180 4.8 19.3 1.0
CG A:HIS146 4.9 18.7 1.0
C A:HIS146 5.0 15.9 1.0
CA A:HIS146 5.0 16.1 1.0
CA A:LYS182 5.0 19.8 1.0

Iodine binding site 4 out of 14 in 4fd7

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Iodine binding site 4 out of 14 in the Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I304

b:28.3
occ:0.85
 OE1 A:GLN26 3.5 34.5 1.0
N A:GLN26 4.4 33.2 1.0
CA A:SER25 4.4 34.9 1.0
CB A:SER25 4.5 34.2 1.0
CD A:GLN26 4.7 31.4 1.0
C A:SER25 4.8 34.3 1.0

Iodine binding site 5 out of 14 in 4fd7

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Iodine binding site 5 out of 14 in the Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I305

b:31.4
occ:0.56
 O A:HOH537 2.5 14.1 1.0
O A:HOH649 3.1 23.2 1.0
O A:HOH587 3.2 18.3 1.0
CB A:ALA65 4.0 16.6 1.0
CG A:LYS66 4.0 17.6 1.0
N A:ALA65 4.2 14.3 1.0
N A:LYS66 4.4 12.9 1.0
CA A:GLY63 4.4 14.4 1.0
C A:GLY63 4.4 16.2 1.0
CA A:ALA65 4.5 15.1 1.0
O A:GLY63 4.5 15.2 1.0
C A:ALA65 4.7 14.2 1.0
CB A:LYS66 4.8 15.1 1.0
CE A:LYS66 4.8 19.8 1.0
CD A:LYS66 4.8 19.2 1.0
CG C:PRO12 4.8 22.6 1.0

Iodine binding site 6 out of 14 in 4fd7

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Iodine binding site 6 out of 14 in the Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I301

b:25.6
occ:1.00
 N B:SER110 3.7 21.3 1.0
OG B:SER110 3.9 26.9 1.0
CB B:SER110 3.9 23.4 1.0
CB B:ARG109 4.0 20.4 1.0
CE1 B:HIS146 4.0 18.4 1.0
N B:ARG109 4.0 15.5 1.0
CB B:SER108 4.1 19.1 1.0
CB B:ASP145 4.2 20.0 1.0
O B:ASP145 4.2 17.3 1.0
NE2 B:HIS146 4.4 20.3 1.0
CA B:ARG109 4.4 20.7 1.0
CA B:SER110 4.4 22.6 1.0
C B:ARG109 4.5 19.2 1.0
O B:HOH671 4.5 29.7 1.0
C B:SER108 4.7 18.4 1.0
CG B:ASP145 4.7 19.4 1.0
ND1 B:HIS146 4.7 17.8 1.0
CA B:SER108 4.8 16.7 1.0
C B:ASP145 4.9 16.0 1.0
OG B:SER108 4.9 20.1 1.0
CA B:ASP145 5.0 19.0 1.0

Iodine binding site 7 out of 14 in 4fd7

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Iodine binding site 7 out of 14 in the Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I302

b:24.2
occ:0.84
 O B:HOH455 3.6 16.6 1.0
N B:ILE98 3.7 18.5 1.0
NH2 B:ARG40 3.8 19.3 1.0
CB B:ILE98 4.0 15.1 1.0
CG1 B:ILE98 4.1 15.5 1.0
CD1 B:ILE98 4.2 16.0 1.0
CB B:ASP43 4.3 16.4 1.0
CA B:ILE98 4.5 17.1 1.0
CG B:ASP43 4.5 17.0 1.0
O B:HOH648 4.5 29.9 1.0
CA B:GLU97 4.6 21.4 1.0
C B:GLU97 4.7 20.9 1.0
OD2 B:ASP43 4.7 20.0 1.0
CG B:GLU97 4.8 24.3 1.0

Iodine binding site 8 out of 14 in 4fd7

Go back to Iodine Binding Sites List in 4fd7
Iodine binding site 8 out of 14 in the Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I303

b:30.4
occ:0.75
 O B:HOH574 3.3 23.5 1.0
O B:HOH441 3.5 15.8 1.0
CB B:ALA65 3.9 17.4 1.0
NZ B:LYS66 4.0 20.9 1.0
CG B:LYS66 4.1 15.7 1.0
CA B:GLY63 4.2 16.1 1.0
N B:ALA65 4.3 14.5 1.0
C B:GLY63 4.3 15.0 1.0
N B:LYS66 4.4 13.4 1.0
CA B:ALA65 4.5 15.4 1.0
O B:GLY63 4.5 14.9 1.0
C B:ALA65 4.8 15.6 1.0
CB B:LYS66 4.9 13.4 1.0
N B:LEU64 4.9 12.1 1.0
O B:HOH432 4.9 15.5 1.0
CD B:LYS66 5.0 18.8 1.0

Iodine binding site 9 out of 14 in 4fd7

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Iodine binding site 9 out of 14 in the Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I304

b:29.9
occ:0.76
 O B:HOH599 3.6 22.9 1.0
N B:ASP145 3.6 18.7 1.0
N B:HIS146 4.1 16.4 1.0
CB B:VAL144 4.2 15.8 1.0
CA B:VAL144 4.2 18.4 1.0
CD2 B:HIS146 4.2 17.9 1.0
CG1 B:VAL144 4.4 18.8 1.0
C B:VAL144 4.4 17.5 1.0
CA B:ASP145 4.5 19.0 1.0
CB B:ASP145 4.6 20.0 1.0
O B:HIS146 4.7 16.4 1.0
CB B:HIS146 4.7 17.9 1.0
C B:ASP145 4.7 16.0 1.0
CG B:HIS146 4.8 16.4 1.0
CG B:LYS182 4.9 21.6 1.0
CA B:HIS146 4.9 16.0 1.0

Iodine binding site 10 out of 14 in 4fd7

Go back to Iodine Binding Sites List in 4fd7
Iodine binding site 10 out of 14 in the Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of Insect Putative Arylalkylamine N- Acetyltransferase 7 From the Yellow Fever Mosquito Aedes Aegypt within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I305

b:35.1
occ:0.44
 O B:HOH660 2.5 32.2 1.0
O B:HOH545 2.6 25.1 1.0
N B:GLU38 3.6 15.8 1.0
CE1 B:PHE11 3.7 21.1 1.0
CB B:PRO37 3.9 17.1 1.0
CA B:PRO37 3.9 17.3 1.0
CG B:GLU38 4.1 24.2 1.0
CD B:PRO12 4.2 22.4 1.0
CD1 B:PHE11 4.3 19.3 1.0
C B:PRO37 4.3 16.9 1.0
CG B:PRO12 4.5 23.6 1.0
CB B:GLU38 4.5 19.4 1.0
CA B:GLU38 4.6 17.1 1.0
CZ B:PHE11 4.7 18.0 1.0
O B:HOH523 4.8 26.7 1.0

Reference:

Q.Han, H.Robinson, H.Ding, B.M.Christensen, J.Li. Evolution of Insect Arylalkylamine N-Acetyltransferases: Structural Evidence From the Yellow Fever Mosquito, Aedes Aegypti. Proc.Natl.Acad.Sci.Usa V. 109 11669 2012.
ISSN: ISSN 0027-8424
PubMed: 22753468
DOI: 10.1073/PNAS.1206828109
Page generated: Sun Aug 11 17:41:25 2024

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