Chlorine in PDB 7eg0: Cryo-Em Structure of Anagrelide-Induced PDE3A-SLFN12 Complex

All present enzymatic activity of Cryo-Em Structure of Anagrelide-Induced PDE3A-SLFN12 Complex:
3.1.4.17;

The structure of Cryo-Em Structure of Anagrelide-Induced PDE3A-SLFN12 Complex also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Zinc	(Zn)	2 atoms

The binding sites of Chlorine atom in the Cryo-Em Structure of Anagrelide-Induced PDE3A-SLFN12 Complex (pdb code 7eg0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Cryo-Em Structure of Anagrelide-Induced PDE3A-SLFN12 Complex, PDB code: 7eg0:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Cryo-Em Structure of Anagrelide-Induced PDE3A-SLFN12 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cryo-Em Structure of Anagrelide-Induced PDE3A-SLFN12 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1201 b:0.0 occ:1.00 CL1 A:J331201 0.0 0.0 1.0 C7 A:J331201 1.7 0.0 1.0 C9 A:J331201 2.7 0.0 1.0 C4 A:J331201 2.7 0.0 1.0 H1 A:J331201 2.9 0.0 1.0 H2 A:J331201 2.9 0.0 1.0 C1 A:J331201 3.0 0.0 1.0 CL2 A:J331201 3.2 0.0 1.0 CE2 A:TYR751 3.5 53.0 1.0 C10 A:J331201 4.0 0.0 1.0 C5 A:J331201 4.0 0.0 1.0 OH A:TYR751 4.1 53.0 1.0 NE2 A:HIS752 4.2 52.1 1.0 CZ A:TYR751 4.2 53.0 1.0 CD1 A:ILE968 4.3 55.7 1.0 CD2 A:TYR751 4.3 53.0 1.0 N1 A:J331201 4.5 0.0 1.0 C8 A:J331201 4.5 0.0 1.0 CE1 A:HIS752 4.6 52.1 1.0 CG1 A:ILE968 4.9 55.7 1.0 H7 A:J331201 4.9 0.0 1.0 CG2 A:ILE951 4.9 50.6 1.0

Chlorine binding site 2 out of 4 in the Cryo-Em Structure of Anagrelide-Induced PDE3A-SLFN12 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cryo-Em Structure of Anagrelide-Induced PDE3A-SLFN12 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1201 b:0.0 occ:1.00 CL2 A:J331201 0.0 0.0 1.0 C9 A:J331201 1.7 0.0 1.0 C10 A:J331201 2.7 0.0 1.0 C7 A:J331201 2.7 0.0 1.0 H7 A:J331201 2.8 0.0 1.0 CL1 A:J331201 3.2 0.0 1.0 CD1 A:LEU910 3.9 48.4 1.0 C8 A:J331201 4.0 0.0 1.0 C4 A:J331201 4.0 0.0 1.0 CZ A:PHE972 4.3 57.3 1.0 C5 A:J331201 4.5 0.0 1.0 H6 A:J331201 4.8 0.0 1.0 CG1 B:ILE558 4.9 53.7 1.0 CE1 A:PHE972 5.0 57.3 1.0

Chlorine binding site 3 out of 4 in the Cryo-Em Structure of Anagrelide-Induced PDE3A-SLFN12 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cryo-Em Structure of Anagrelide-Induced PDE3A-SLFN12 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1201 b:0.0 occ:1.00 CL1 C:J331201 0.0 0.0 1.0 C7 C:J331201 1.7 0.0 1.0 C9 C:J331201 2.7 0.0 1.0 C4 C:J331201 2.7 0.0 1.0 H1 C:J331201 2.9 0.0 1.0 H2 C:J331201 2.9 0.0 1.0 C1 C:J331201 3.0 0.0 1.0 CL2 C:J331201 3.2 0.0 1.0 CE2 C:TYR751 3.5 53.0 1.0 C10 C:J331201 4.0 0.0 1.0 C5 C:J331201 4.0 0.0 1.0 OH C:TYR751 4.1 53.0 1.0 NE2 C:HIS752 4.2 52.1 1.0 CZ C:TYR751 4.2 53.0 1.0 CD1 C:ILE968 4.3 55.7 1.0 CD2 C:TYR751 4.3 53.0 1.0 N1 C:J331201 4.5 0.0 1.0 C8 C:J331201 4.5 0.0 1.0 CE1 C:HIS752 4.6 52.1 1.0 CG1 C:ILE968 4.9 55.7 1.0 H7 C:J331201 4.9 0.0 1.0 CG2 C:ILE951 4.9 50.6 1.0

Chlorine binding site 4 out of 4 in the Cryo-Em Structure of Anagrelide-Induced PDE3A-SLFN12 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Cryo-Em Structure of Anagrelide-Induced PDE3A-SLFN12 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1201 b:0.0 occ:1.00 CL2 C:J331201 0.0 0.0 1.0 C9 C:J331201 1.7 0.0 1.0 C10 C:J331201 2.7 0.0 1.0 C7 C:J331201 2.7 0.0 1.0 H7 C:J331201 2.8 0.0 1.0 CL1 C:J331201 3.2 0.0 1.0 CD1 C:LEU910 3.9 48.4 1.0 C8 C:J331201 4.0 0.0 1.0 C4 C:J331201 4.0 0.0 1.0 CZ C:PHE972 4.3 57.3 1.0 C5 C:J331201 4.5 0.0 1.0 H6 C:J331201 4.8 0.0 1.0 CG1 D:ILE558 4.9 53.7 1.0 CE1 C:PHE972 5.0 57.3 1.0

J.Chen, N.Liu, L.Dianrong, W.Yuanxun, S.Yuxing, W.Qingcui, H.Yinpin, H.W.Wang, H.Niu, Q.Xiangbing, X.D.Wang. Cryo-Em Structure of Anagrelide-Induced PDE3A-SLFN12 Complex Nat Commun 2021.
ISSN: ESSN 2041-1723