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Iodine in PDB 7p4o: Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc

Enzymatic activity of Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc

All present enzymatic activity of Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc:
3.1.4.39;

Protein crystallography data

The structure of Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc, PDB code: 7p4o was solved by M.C.Eymery, A.A.Mccarthy, J.Hausmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 60.29 / 1.69
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 53.841, 62.361, 64.356, 103.7, 98.37, 93.44
R / Rfree (%) 17.1 / 20.6

Other elements in 7p4o:

The structure of Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc also contains other interesting chemical elements:

Calcium (Ca) 1 atom
Zinc (Zn) 2 atoms

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc (pdb code 7p4o). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 12 binding sites of Iodine where determined in the Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc, PDB code: 7p4o:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 12 in 7p4o

Go back to Iodine Binding Sites List in 7p4o
Iodine binding site 1 out of 12 in the Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc


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 Autotaxin and 9(R)-DELTA6A,10A-Thc within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I910

b:79.6
occ:1.00
 CG1 A:VAL110 4.5 49.3 1.0

Iodine binding site 2 out of 12 in 7p4o

Go back to Iodine Binding Sites List in 7p4o
Iodine binding site 2 out of 12 in the Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc


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 Autotaxin and 9(R)-DELTA6A,10A-Thc within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I911

b:25.4
occ:1.00
 HA3 A:GLY229 3.3 23.4 1.0
N A:ASN230 3.6 22.9 1.0
NH1 A:ARG391 3.7 26.6 1.0
HA2 A:GLY229 3.7 23.4 1.0
CA A:GLY229 3.9 19.5 1.0
N A:SER231 4.1 18.9 1.0
CG1 A:VAL385 4.2 26.8 1.0
OG A:SER231 4.2 46.1 1.0
C A:GLY229 4.2 17.8 1.0
CE A:LYS208 4.3 32.4 1.0
O A:SER231 4.3 21.2 1.0
CB A:ASN230 4.4 18.1 1.0
CG A:LYS208 4.4 20.3 1.0
CA A:ASN230 4.4 18.6 1.0
CD1 A:LEU389 4.6 38.9 1.0
CD2 A:LEU389 4.6 43.1 1.0
CD A:LYS208 4.7 31.1 1.0
C A:ASN230 4.8 23.5 1.0
O A:HOH1364 4.8 37.1 1.0
CZ A:ARG391 4.8 36.1 1.0
CG A:LEU389 4.8 32.6 1.0

Iodine binding site 3 out of 12 in 7p4o

Go back to Iodine Binding Sites List in 7p4o
Iodine binding site 3 out of 12 in the Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc


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 Autotaxin and 9(R)-DELTA6A,10A-Thc within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I912

b:29.2
occ:0.45
 NH2 A:ARG393 3.6 31.4 1.0
NH1 A:ARG393 3.7 27.9 1.0
C A:MET232 3.9 23.1 1.0
N A:MET232 4.0 19.2 1.0
CA A:MET232 4.0 24.1 1.0
N A:TYR233 4.1 18.5 1.0
O A:MET232 4.1 22.1 1.0
CZ A:ARG393 4.2 36.9 1.0
CE1 A:HIS242 4.2 32.3 1.0
CG2 A:VAL385 4.3 26.7 1.0
CB A:SER231 4.3 32.4 1.0
O A:HOH1313 4.3 49.1 1.0
OG A:SER240 4.4 40.9 1.0
CB A:TYR233 4.4 22.4 1.0
C A:SER231 4.4 20.0 1.0
CA A:TYR233 4.7 17.8 1.0
CB A:SER240 4.7 32.2 1.0
OG A:SER231 4.7 46.1 1.0
NE2 A:HIS242 4.8 34.4 1.0
O A:SER231 4.9 21.2 1.0
O A:HOH1053 5.0 26.9 1.0
CA A:SER231 5.0 21.2 1.0
ND1 A:HIS242 5.0 32.5 1.0

Iodine binding site 4 out of 12 in 7p4o

Go back to Iodine Binding Sites List in 7p4o
Iodine binding site 4 out of 12 in the Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc


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 Autotaxin and 9(R)-DELTA6A,10A-Thc within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I913

b:32.5
occ:1.00
 N A:LEU788 3.7 18.7 1.0
CD A:ARG843 3.7 39.2 1.0
O A:HOH1104 3.7 29.1 1.0
CG A:ARG843 3.9 28.4 1.0
CA A:PRO787 4.1 18.6 1.0
O A:GLU847 4.1 18.9 1.0
CB A:LEU851 4.3 13.3 1.0
CD2 A:LEU851 4.3 19.9 1.0
CB A:LEU788 4.4 17.9 1.0
CD1 A:LEU851 4.4 19.4 1.0
CB A:GLU847 4.4 26.5 1.0
CB A:PRO787 4.4 21.9 1.0
C A:PRO787 4.4 21.2 1.0
CD1 A:ILE848 4.5 21.1 1.0
C A:GLU847 4.5 20.2 1.0
CA A:LEU788 4.5 17.1 1.0
CB A:ARG843 4.6 26.6 1.0
O A:LEU788 4.6 19.6 1.0
CG A:LEU851 4.6 17.9 1.0
CG A:LEU788 4.6 22.6 1.0
N A:ILE848 5.0 19.1 1.0
C A:LEU788 5.0 20.1 1.0

Iodine binding site 5 out of 12 in 7p4o

Go back to Iodine Binding Sites List in 7p4o
Iodine binding site 5 out of 12 in the Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc


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 Autotaxin and 9(R)-DELTA6A,10A-Thc within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I914

b:68.7
occ:1.00
 O A:HOH1419 3.5 28.3 1.0
N A:PHE679 3.7 21.6 1.0
O A:PHE679 3.8 20.7 1.0
CD1 A:TRP712 4.0 17.4 1.0
OE1 A:GLN716 4.1 28.1 1.0
NE1 A:TRP712 4.2 22.4 1.0
CG A:GLN716 4.2 25.1 1.0
CB A:PHE679 4.3 16.0 1.0
HA2 A:GLY678 4.3 26.9 1.0
CD A:PRO683 4.3 26.8 1.0
HA3 A:GLY678 4.4 26.9 1.0
CA A:PHE679 4.4 17.9 1.0
CE2 A:TYR684 4.4 43.5 1.0
C A:PHE679 4.5 22.6 1.0
CD2 A:PHE679 4.6 22.0 1.0
CB A:GLN716 4.6 19.5 1.0
CD A:GLN716 4.6 38.9 1.0
CA A:GLY678 4.7 22.4 1.0
C A:GLY678 4.7 26.3 1.0
CA A:PRO682 4.8 24.8 1.0
CB A:PRO682 5.0 24.9 1.0
CG A:PHE679 5.0 18.5 1.0

Iodine binding site 6 out of 12 in 7p4o

Go back to Iodine Binding Sites List in 7p4o
Iodine binding site 6 out of 12 in the Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc


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 Autotaxin and 9(R)-DELTA6A,10A-Thc within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I915

b:143.1
occ:1.00
 O A:HOH1299 3.2 45.5 1.0
N A:SER846 3.5 23.1 1.0
CB A:SER846 3.8 43.5 1.0
N A:TYR845 4.2 22.0 1.0
CA A:SER846 4.2 30.1 1.0
O A:HOH1257 4.2 33.4 1.0
CB A:TYR845 4.2 23.9 1.0
C A:TYR845 4.4 22.4 1.0
CA A:TYR845 4.5 24.8 1.0
CD A:PRO541 4.5 35.1 1.0
CG A:PRO541 4.6 37.7 1.0
O A:HOH1411 4.7 44.1 1.0
CB A:SER844 4.8 32.2 1.0
O A:PRO541 4.9 37.6 1.0

Iodine binding site 7 out of 12 in 7p4o

Go back to Iodine Binding Sites List in 7p4o
Iodine binding site 7 out of 12 in the Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc


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 Autotaxin and 9(R)-DELTA6A,10A-Thc within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I916

b:69.1
occ:1.00
 N A:ARG252 3.7 17.4 1.0
CB A:ARG252 3.8 20.8 1.0
CG A:ARG252 3.8 18.2 1.0
CB A:ASN250 3.8 21.5 1.0
CE1 A:HIS251 3.8 25.3 1.0
NE2 A:HIS251 3.9 26.1 1.0
N A:HIS251 3.9 18.6 1.0
ND1 A:HIS251 4.0 28.2 1.0
CD A:ARG252 4.1 23.8 1.0
CD2 A:HIS251 4.1 19.0 1.0
CG A:HIS251 4.2 21.9 1.0
CG A:ASN250 4.3 51.7 1.0
CA A:ASN250 4.3 23.3 1.0
C A:ASN250 4.3 20.1 1.0
CA A:ARG252 4.3 19.1 1.0
OD1 A:ASN250 4.5 43.5 1.0
O A:HOH1247 4.6 32.8 1.0
C A:HIS251 4.7 16.8 1.0
CA A:HIS251 4.7 19.1 1.0
NE A:ARG252 4.8 23.2 1.0
ND2 A:ASN250 5.0 52.0 1.0

Iodine binding site 8 out of 12 in 7p4o

Go back to Iodine Binding Sites List in 7p4o
Iodine binding site 8 out of 12 in the Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc


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 Autotaxin and 9(R)-DELTA6A,10A-Thc within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I917

b:36.4
occ:1.00
 HA3 A:GLY729 3.2 19.3 1.0
O A:HOH1308 3.4 25.7 1.0
OD1 A:ASP782 3.7 63.5 1.0
N A:ASP782 3.7 29.3 1.0
CG A:ASP782 3.8 54.3 1.0
N A:ALA781 3.8 21.9 1.0
CA A:SER636 3.9 19.9 1.0
CB A:SER636 4.0 26.8 1.0
CB A:ASP782 4.1 33.2 1.0
CG2 A:THR634 4.1 21.1 1.0
CB A:PRO780 4.1 25.0 1.0
CA A:GLY729 4.1 16.3 1.0
CB A:ALA781 4.2 18.7 1.0
HA2 A:GLY729 4.3 19.3 1.0
OD2 A:ASP782 4.4 62.0 1.0
CA A:ALA781 4.4 17.7 1.0
O A:ASN728 4.4 20.1 1.0
O A:ILE635 4.5 23.8 1.0
C A:ALA781 4.5 25.9 1.0
C A:PRO780 4.5 23.9 1.0
N A:SER636 4.5 18.6 1.0
CA A:ASP782 4.5 23.1 1.0
CA A:PRO780 4.7 21.1 1.0
C A:ILE635 4.7 20.2 1.0
NZ A:LYS783 4.8 60.1 1.0
C A:GLY729 4.9 20.9 1.0
N A:GLY729 5.0 17.6 1.0

Iodine binding site 9 out of 12 in 7p4o

Go back to Iodine Binding Sites List in 7p4o
Iodine binding site 9 out of 12 in the Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc


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 Autotaxin and 9(R)-DELTA6A,10A-Thc within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I918

b:175.0
occ:1.00
 O A:HOH1375 3.4 33.0 1.0
ND2 A:ASN437 3.7 17.2 1.0
O A:HOH1320 3.8 25.8 1.0
CZ A:ARG439 3.9 14.5 1.0
NH2 A:ARG439 4.0 16.4 1.0
NH1 A:ARG438 4.1 25.3 1.0
NE A:ARG439 4.1 14.9 1.0
CZ A:ARG438 4.2 28.3 1.0
OD1 A:ASN437 4.2 18.9 1.0
NH2 A:ARG438 4.2 20.4 1.0
NH1 A:ARG439 4.3 13.8 1.0
HA2 A:GLY226 4.3 19.8 1.0
HA3 A:GLY226 4.3 19.8 1.0
CG A:ASN437 4.4 17.5 1.0
NE A:ARG438 4.7 20.2 1.0
CD A:ARG439 4.7 14.2 1.0
CA A:GLY226 4.8 16.4 1.0
OD2 A:ASP234 4.9 16.8 1.0

Iodine binding site 10 out of 12 in 7p4o

Go back to Iodine Binding Sites List in 7p4o
Iodine binding site 10 out of 12 in the Crystal Structure of Autotaxin and 9(R)-DELTA6A,10A-Thc


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 Autotaxin and 9(R)-DELTA6A,10A-Thc within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I919

b:150.2
occ:1.00
 O A:HOH1436 2.9 39.1 1.0
N A:TYR496 3.5 26.2 1.0
CG A:LYS495 3.8 27.5 1.0
NH2 A:ARG535 3.8 51.8 1.0
CA A:LYS495 3.8 22.5 1.0
CB A:LYS495 3.8 23.2 1.0
C A:LYS495 4.2 26.1 1.0
CB A:TYR496 4.2 27.4 1.0
CZ A:ARG535 4.2 58.3 1.0
OE2 A:GLU150 4.3 47.1 1.0
CD A:LYS495 4.4 27.3 1.0
CA A:TYR496 4.4 28.7 1.0
O A:TYR496 4.6 28.4 1.0
NH1 A:ARG535 4.6 49.6 1.0
CB A:ARG535 4.6 35.1 1.0
O A:HOH1244 4.6 46.2 1.0
O A:HOH1019 4.7 43.5 1.0
CE A:LYS495 4.8 39.0 1.0
OG1 A:THR498 4.8 28.5 1.0
NE A:ARG535 4.9 55.5 1.0

Reference:

M.C.Eymery, A.A.Andrew, J.Hausmann. Linking the Endocannabinoid System and Medicinal Cannabis to Autotaxin-Lysophosphatic Acid Signaling To Be Published.
Page generated: Mon Aug 12 01:54:26 2024

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