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Iodine in PDB 7mfh: Crystal Structure of Bio-32546 Bound Mouse Autotaxin

Enzymatic activity of Crystal Structure of Bio-32546 Bound Mouse Autotaxin

All present enzymatic activity of Crystal Structure of Bio-32546 Bound Mouse Autotaxin:
3.1.4.39;

Protein crystallography data

The structure of Crystal Structure of Bio-32546 Bound Mouse Autotaxin, PDB code: 7mfh was solved by J.V.Chodaparambil, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.13 / 2.30
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 61.02, 61.62, 67.32, 89.07, 74.2, 79.88
R / Rfree (%) 21.5 / 26.8

Other elements in 7mfh:

The structure of Crystal Structure of Bio-32546 Bound Mouse Autotaxin also contains other interesting chemical elements:

Zinc (Zn) 7 atoms
Fluorine (F) 6 atoms

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of Bio-32546 Bound Mouse Autotaxin (pdb code 7mfh). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of Bio-32546 Bound Mouse Autotaxin, PDB code: 7mfh:

Iodine binding site 1 out of 1 in 7mfh

Go back to Iodine Binding Sites List in 7mfh
Iodine binding site 1 out of 1 in the Crystal Structure of Bio-32546 Bound Mouse Autotaxin


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 Bio-32546 Bound Mouse Autotaxin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I902

b:100.7
occ:1.00
OG A:SER278 3.2 56.0 1.0
CB A:SER276 4.2 45.7 1.0
N A:VAL277 4.3 54.2 1.0
N A:SER278 4.3 58.6 1.0
CB A:LYS80 4.4 63.5 1.0
CB A:SER278 4.4 63.7 1.0
CD A:LYS80 4.6 73.3 1.0
OG A:SER276 4.7 50.7 1.0
C A:LYS80 4.8 63.3 1.0
N A:SER81 4.8 72.1 1.0
C A:SER276 4.9 52.7 1.0
CA A:SER276 4.9 47.2 1.0
CB A:VAL277 4.9 60.1 1.0
OG A:SER81 4.9 68.8 1.0
CA A:SER81 5.0 70.0 1.0
CA A:VAL277 5.0 47.2 1.0

Reference:

B.Ma, L.Zhang, L.Sun, Z.Xin, G.Kumaravel, D.Marcotte, J.V.Chodaparambil, Q.Wang, A.Wehr, J.Jing, V.S.Hong, T.Wang, C.Huang, Z.Shao, S.Mi. Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor Bio-32546. Acs Med.Chem.Lett. V. 12 1124 2021.
ISSN: ISSN 1948-5875
PubMed: 34267882
DOI: 10.1021/ACSMEDCHEMLETT.1C00211
Page generated: Wed Apr 5 09:16:46 2023

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