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Iodine in PDB 8zev: Crystal Structure of the Dehydratase Domain of Human Fatty Acid Synthase

Enzymatic activity of Crystal Structure of the Dehydratase Domain of Human Fatty Acid Synthase

All present enzymatic activity of Crystal Structure of the Dehydratase Domain of Human Fatty Acid Synthase:
1.1.1.100; 1.3.1.39; 2.3.1.38; 2.3.1.39; 2.3.1.41; 2.3.1.85; 4.2.1.59;

Protein crystallography data

The structure of Crystal Structure of the Dehydratase Domain of Human Fatty Acid Synthase, PDB code: 8zev was solved by L.Zhang, L.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.21 / 1.80
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 108.13, 108.13, 221.31, 90, 90, 120
R / Rfree (%) 20.7 / 22.8

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of the Dehydratase Domain of Human Fatty Acid Synthase (pdb code 8zev). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 7 binding sites of Iodine where determined in the Crystal Structure of the Dehydratase Domain of Human Fatty Acid Synthase, PDB code: 8zev:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7;

Iodine binding site 1 out of 7 in 8zev

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Iodine binding site 1 out of 7 in the Crystal Structure of the Dehydratase Domain of Human Fatty Acid Synthase


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 the Dehydratase Domain of Human Fatty Acid Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I2000

b:46.7
occ:1.00
 N A:ALA888 3.7 29.6 1.0
CE1 A:HIS878 3.7 31.6 1.0
O A:HOH2161 3.8 30.4 1.0
CD A:PRO1049 3.8 37.4 1.0
NE2 A:HIS878 4.0 29.3 1.0
O A:HOH2123 4.1 36.5 1.0
CG A:PRO1049 4.2 39.2 1.0
CB A:ALA888 4.2 28.2 1.0
CA A:PRO887 4.2 26.4 1.0
CD1 A:LEU880 4.2 47.2 1.0
C A:PRO887 4.5 24.1 1.0
CA A:ALA888 4.6 27.5 1.0
OD1 A:ASP1031 4.7 34.4 1.0
CB A:PRO887 4.8 28.0 1.0
O A:PHE886 4.9 29.1 1.0
ND1 A:HIS878 4.9 30.0 1.0
CD2 A:LEU1048 5.0 49.8 1.0

Iodine binding site 2 out of 7 in 8zev

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Iodine binding site 2 out of 7 in the Crystal Structure of the Dehydratase Domain of Human Fatty Acid Synthase


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 the Dehydratase Domain of Human Fatty Acid Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I2001

b:42.5
occ:0.48
 O A:HOH2260 2.8 43.9 1.0
OG A:SER1037 2.9 43.6 0.6
OG1 A:THR1087 3.6 32.2 1.0
N A:VAL1086 3.9 34.4 1.0
O A:VAL1086 4.1 34.3 1.0
C A:ARG1085 4.1 38.3 1.0
CG1 A:VAL1080 4.2 36.3 1.0
C A:VAL1086 4.2 35.8 1.0
CB A:SER1037 4.2 42.8 0.4
CA A:ARG1085 4.2 43.2 1.0
OG A:SER1037 4.2 36.7 0.4
O A:SER1081 4.3 37.9 1.0
CB A:SER1037 4.3 42.9 0.6
CA A:ARG1082 4.5 44.3 1.0
CA A:VAL1086 4.5 30.6 1.0
N A:THR1087 4.6 32.4 1.0
C A:SER1081 4.7 41.6 1.0
O A:ARG1085 4.8 38.5 1.0
N A:ARG1082 4.8 42.0 1.0
CB A:THR1087 4.8 30.1 1.0
CB A:LEU1097 4.9 35.3 1.0
CA A:SER1037 5.0 41.0 0.6
CA A:SER1037 5.0 41.0 0.4

Iodine binding site 3 out of 7 in 8zev

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Iodine binding site 3 out of 7 in the Crystal Structure of the Dehydratase Domain of Human Fatty Acid Synthase


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 the Dehydratase Domain of Human Fatty Acid Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I2000

b:40.3
occ:1.00
 O B:HOH2286 3.3 43.9 1.0
N B:ALA888 3.6 32.2 1.0
CE1 B:HIS878 3.7 29.2 1.0
O B:HOH2284 3.7 48.6 1.0
O B:HOH2133 3.8 26.1 1.0
CD2 B:LEU885 3.8 50.9 1.0
CD B:PRO1049 3.9 44.2 1.0
NE2 B:HIS878 4.0 28.7 1.0
CA B:PRO887 4.1 24.8 1.0
CB B:ALA888 4.2 28.7 1.0
C B:PRO887 4.4 25.7 1.0
CG B:PRO1049 4.4 42.2 1.0
O B:HOH2113 4.4 37.5 1.0
CA B:ALA888 4.5 27.8 1.0
O B:PHE886 4.6 30.5 1.0
OD1 B:ASP1031 4.8 34.8 1.0
CB B:PRO887 4.9 30.4 1.0
ND1 B:HIS878 4.9 30.9 1.0
CD1 B:LEU880 5.0 55.4 1.0

Iodine binding site 4 out of 7 in 8zev

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Iodine binding site 4 out of 7 in the Crystal Structure of the Dehydratase Domain of Human Fatty Acid Synthase


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 the Dehydratase Domain of Human Fatty Acid Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I2001

b:49.4
occ:0.45
 OG B:SER1037 3.0 47.8 1.0
O B:HOH2207 3.2 43.5 1.0
OG1 B:THR1087 3.5 34.6 1.0
N B:VAL1086 4.1 36.8 1.0
C B:ARG1085 4.1 43.7 1.0
CG1 B:VAL1080 4.1 39.4 1.0
CB B:SER1037 4.2 40.0 1.0
NH1 B:ARG1082 4.2 66.6 1.0
O B:VAL1086 4.2 35.2 1.0
C B:VAL1086 4.3 40.1 1.0
CA B:ARG1085 4.3 42.9 1.0
O B:ARG1085 4.5 38.0 1.0
N B:THR1087 4.6 33.0 1.0
CA B:VAL1086 4.6 32.3 1.0
CB B:THR1087 4.7 33.4 1.0
O B:HOH2256 4.8 53.9 1.0
CB B:LEU1097 4.8 37.2 1.0
O B:SER1081 4.8 45.8 1.0
CA B:SER1037 5.0 38.6 1.0

Iodine binding site 5 out of 7 in 8zev

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Iodine binding site 5 out of 7 in the Crystal Structure of the Dehydratase Domain of Human Fatty Acid Synthase


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 the Dehydratase Domain of Human Fatty Acid Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I2000

b:46.8
occ:1.00
 N C:ALA888 3.6 35.6 1.0
O C:HOH2142 3.7 33.0 1.0
CE1 C:HIS878 3.8 42.4 1.0
CD C:PRO1049 3.9 36.0 1.0
NE2 C:HIS878 4.0 40.4 1.0
CA C:PRO887 4.1 31.6 1.0
CB C:ALA888 4.2 30.9 1.0
CG C:PRO1049 4.2 38.5 1.0
O C:HOH2118 4.4 39.5 1.0
C C:PRO887 4.4 32.9 1.0
CD2 C:LEU885 4.4 59.4 1.0
CD1 C:LEU880 4.5 60.0 1.0
CA C:ALA888 4.5 29.6 1.0
O C:PHE886 4.7 33.2 1.0
OD1 C:ASP1031 4.8 39.3 1.0
CB C:PRO887 4.8 29.7 1.0

Iodine binding site 6 out of 7 in 8zev

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Iodine binding site 6 out of 7 in the Crystal Structure of the Dehydratase Domain of Human Fatty Acid Synthase


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 the Dehydratase Domain of Human Fatty Acid Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I2001

b:53.2
occ:0.42
 O C:HOH2224 3.3 45.9 1.0
OG1 C:THR1087 3.7 40.5 1.0
CB C:SER1037 4.0 48.3 1.0
OG C:SER1037 4.1 51.5 1.0
CA C:ARG1082 4.3 47.5 1.0
N C:VAL1086 4.4 36.9 1.0
CG1 C:VAL1080 4.4 41.3 1.0
CA C:ARG1085 4.5 39.9 1.0
C C:ARG1085 4.5 41.8 1.0
O C:VAL1086 4.6 39.1 1.0
O C:SER1081 4.6 38.4 1.0
C C:VAL1086 4.7 44.0 1.0
N C:ARG1082 4.7 40.1 1.0
CA C:SER1037 4.7 46.8 1.0
CB C:LEU1097 4.8 32.9 1.0
C C:SER1081 4.8 35.8 1.0
CD2 C:LEU1097 4.8 40.7 1.0
N C:THR1087 4.9 37.3 1.0
CB C:ARG1082 4.9 48.3 1.0
CB C:THR1087 5.0 38.2 1.0

Iodine binding site 7 out of 7 in 8zev

Go back to Iodine Binding Sites List in 8zev
Iodine binding site 7 out of 7 in the Crystal Structure of the Dehydratase Domain of Human Fatty Acid Synthase


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 the Dehydratase Domain of Human Fatty Acid Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:I2000

b:46.6
occ:1.00
 O D:HOH2256 3.5 45.0 1.0
O D:HOH2136 3.5 34.7 1.0
N D:ALA888 3.6 34.5 1.0
O D:HOH2262 3.6 59.7 1.0
NE2 D:HIS878 3.8 43.1 1.0
CD D:PRO1049 3.9 49.6 1.0
CD2 D:LEU885 4.1 47.4 1.0
CB D:ALA888 4.1 35.3 1.0
CA D:PRO887 4.1 34.2 1.0
CD2 D:LEU1048 4.1 49.4 1.0
CE1 D:HIS878 4.2 34.5 1.0
CG D:PRO1049 4.3 49.7 1.0
C D:PRO887 4.4 33.8 1.0
CA D:ALA888 4.5 32.0 1.0
O D:HOH2131 4.5 45.2 1.0
O D:PHE886 4.5 36.5 1.0
CG D:LEU885 4.7 41.6 1.0
OD1 D:ASP1031 4.9 42.1 1.0
CB D:PRO887 4.9 35.0 1.0

Reference:

C.Cai, Y.Huang, L.Zhang, L.Zhang. Structural Basis of the Dehydratase Module (Hdh) of Human Fatty Acid Synthase. Chembiochem V. 25 00466 2024.
ISSN: ESSN 1439-7633
PubMed: 38955950
DOI: 10.1002/CBIC.202400466
Page generated: Sat Aug 9 00:38:50 2025

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