Chlorine in PDB 7uha: uc(Nmr) Structure of the Cntnc-Ctni Chimera Bound to W6

The structure of uc(Nmr) Structure of the Cntnc-Ctni Chimera Bound to W6 also contains other interesting chemical elements:

Calcium

(Ca)

10 atoms

The binding sites of Chlorine atom in the uc(Nmr) Structure of the Cntnc-Ctni Chimera Bound to W6 (pdb code 7uha). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the uc(Nmr) Structure of the Cntnc-Ctni Chimera Bound to W6, PDB code: 7uha:

Chlorine binding site 1 out of 1 in the uc(Nmr) Structure of the Cntnc-Ctni Chimera Bound to W6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of uc(Nmr) Structure of the Cntnc-Ctni Chimera Bound to W6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:0.0 occ:1.00 CL1 A:WW6201 0.0 0.0 1.0 C5 A:WW6201 1.7 0.0 1.0 HG22 A:ILE36 2.6 0.0 1.0 C6 A:WW6201 2.7 0.0 1.0 H4 A:WW6201 2.7 0.0 1.0 C10 A:WW6201 2.8 0.0 1.0 H6 A:WW6201 2.8 0.0 1.0 HD13 A:LEU41 2.8 0.0 1.0 HG21 A:ILE36 2.9 0.0 1.0 HD11 A:LEU41 3.0 0.0 1.0 HE3 A:MET80 3.0 0.0 1.0 C4 A:WW6201 3.1 0.0 1.0 CG2 A:ILE36 3.2 0.0 1.0 CD1 A:LEU41 3.4 0.0 1.0 HE2 A:MET80 3.6 0.0 1.0 HZ A:PHE27 3.7 0.0 1.0 CZ A:PHE27 3.8 0.0 1.0 CE A:MET80 3.8 0.0 1.0 CE2 A:PHE27 3.9 0.0 1.0 HG23 A:ILE36 3.9 0.0 1.0 HE2 A:PHE27 3.9 0.0 1.0 HE2 A:MET153 4.0 0.0 1.0 C7 A:WW6201 4.0 0.0 1.0 HG12 A:ILE36 4.0 0.0 1.0 HD12 A:LEU41 4.0 0.0 1.0 HG13 A:ILE61 4.0 0.0 1.0 HB A:VAL72 4.1 0.0 1.0 HG22 A:VAL72 4.1 0.0 1.0 C9 A:WW6201 4.1 0.0 1.0 HB2 A:LEU41 4.1 0.0 1.0 HB A:ILE36 4.2 0.0 1.0 HD22 A:LEU41 4.2 0.0 1.0 CB A:ILE36 4.2 0.0 1.0 HG12 A:VAL72 4.2 0.0 1.0 HE1 A:MET80 4.3 0.0 1.0 HA A:LEU41 4.4 0.0 1.0 CE1 A:PHE27 4.4 0.0 1.0 HE3 A:MET153 4.4 0.0 1.0 C8 A:WW6201 4.5 0.0 1.0 CG A:LEU41 4.5 0.0 1.0 HG21 A:VAL72 4.5 0.0 1.0 C3 A:WW6201 4.5 0.0 1.0 CD2 A:PHE27 4.6 0.0 1.0 CG2 A:VAL72 4.6 0.0 1.0 CG1 A:ILE36 4.6 0.0 1.0 CE A:MET153 4.7 0.0 1.0 CB A:VAL72 4.7 0.0 1.0 CB A:LEU41 4.7 0.0 1.0 HE1 A:PHE27 4.8 0.0 1.0 H7 A:WW6201 4.8 0.0 1.0 CG1 A:VAL72 4.9 0.0 1.0 CD2 A:LEU41 4.9 0.0 1.0 HG13 A:VAL72 4.9 0.0 1.0 CG1 A:ILE61 5.0 0.0 1.0

F.Cai, T.Kampourakis, K.T.Cockburn, B.D.Sykes. Drugging the Sarcomere, A Delicate Balance: Position of N-Terminal Charge of the Inhibitor W7. Acs Chem.Biol. V. 17 1495 2022.
ISSN: ESSN 1554-8937
PubMed: 35649123
DOI: 10.1021/ACSCHEMBIO.2C00126