Chlorine in PDB 7kbu: Structure of Hevin Fs-Ec

The structure of Structure of Hevin Fs-Ec, PDB code: 7kbu was solved by M.Machius, S.Fan, G.Rudenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.00 / 2.27
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.657, 132.289, 149.225, 90, 90, 90
R / Rfree (%)	18.7 / 23.8

The structure of Structure of Hevin Fs-Ec also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Calcium	(Ca)	6 atoms

The binding sites of Chlorine atom in the Structure of Hevin Fs-Ec (pdb code 7kbu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Hevin Fs-Ec, PDB code: 7kbu:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Hevin Fs-Ec


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Hevin Fs-Ec within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:55.2 occ:1.00 H A:ILE574 2.4 40.3 1.0 HE1 A:PHE518 2.5 39.7 1.0 HD2 A:PRO573 2.8 51.3 1.0 H A:ASP575 2.8 35.0 1.0 HB A:ILE574 2.9 37.2 1.0 HA A:HIS572 2.9 59.4 1.0 O B:HOH851 2.9 29.7 1.0 N A:ILE574 3.1 33.5 1.0 CE1 A:PHE518 3.4 33.0 1.0 C A:HIS572 3.4 44.6 1.0 N A:PRO573 3.4 39.6 1.0 CD A:PRO573 3.4 42.6 1.0 HG2 A:PRO573 3.5 58.6 1.0 HG12 A:ILE574 3.5 43.1 1.0 CA A:HIS572 3.6 49.4 1.0 N A:ASP575 3.6 29.1 1.0 HZ A:PHE518 3.6 33.9 1.0 CB A:ILE574 3.6 30.9 1.0 HB3 A:HIS572 3.7 61.6 1.0 CA A:ILE574 3.8 30.4 1.0 CZ A:PHE518 3.9 28.1 1.0 O A:HIS572 3.9 35.8 1.0 CG A:PRO573 4.0 48.7 1.0 C A:PRO573 4.0 40.5 1.0 HB2 A:ASP575 4.1 42.8 1.0 CG1 A:ILE574 4.1 35.8 1.0 CB A:HIS572 4.2 51.3 1.0 C A:ILE574 4.2 34.4 1.0 CA A:PRO573 4.2 45.5 1.0 HD3 A:PRO573 4.3 51.3 1.0 HG21 A:THR516 4.4 24.1 1.0 CG A:ASP575 4.4 43.5 1.0 CD1 A:PHE518 4.4 25.6 1.0 OD2 A:ASP575 4.5 46.8 1.0 HD1 A:PHE518 4.5 30.9 1.0 CB A:ASP575 4.6 35.6 1.0 HB A:THR516 4.6 30.6 1.0 CA A:ASP575 4.7 35.3 1.0 HG13 A:ILE574 4.7 43.1 1.0 HA A:ILE574 4.7 36.6 1.0 HG3 A:PRO573 4.7 58.6 1.0 OD1 A:ASP575 4.8 30.4 1.0 ND1 A:HIS572 4.8 54.4 1.0 CB A:PRO573 4.8 49.5 1.0 N A:HIS572 4.8 45.3 1.0 O A:ASP571 4.8 62.1 1.0 HD13 A:ILE574 4.9 49.7 1.0 CG2 A:ILE574 4.9 30.9 1.0 HB2 A:HIS572 5.0 61.6 1.0 HG22 A:ILE574 5.0 37.2 1.0

Chlorine binding site 2 out of 4 in the Structure of Hevin Fs-Ec


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Hevin Fs-Ec within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl705 b:31.4 occ:1.00 H A:LEU525 2.3 26.1 1.0 H B:LEU525 2.4 24.4 1.0 HG B:LEU525 2.9 26.5 1.0 HA A:PRO524 3.0 32.8 1.0 HA B:PRO524 3.1 26.2 1.0 N A:LEU525 3.2 22.2 1.0 N B:LEU525 3.2 20.3 1.0 O B:HOH873 3.3 31.3 1.0 HB2 A:LEU525 3.3 26.5 1.0 O A:HOH866 3.4 22.5 1.0 HB2 B:LEU525 3.4 30.1 1.0 HB3 A:LEU525 3.5 26.5 1.0 HB3 B:PRO524 3.5 25.2 1.0 HB3 A:PRO524 3.5 28.9 1.0 CG B:LEU525 3.7 22.0 1.0 O B:HOH828 3.7 27.6 1.0 HD12 B:LEU525 3.7 35.8 1.0 CA A:PRO524 3.8 27.2 1.0 CB A:LEU525 3.8 22.1 1.0 CA B:PRO524 3.8 21.7 1.0 CB B:LEU525 3.9 25.0 1.0 C A:PRO524 4.0 30.6 1.0 C B:PRO524 4.0 22.4 1.0 CB B:PRO524 4.1 20.9 1.0 CA A:LEU525 4.1 27.6 1.0 CB A:PRO524 4.1 24.6 1.0 HH21 A:ARG528 4.2 25.3 1.0 CA B:LEU525 4.2 25.8 1.0 CD1 B:LEU525 4.2 29.7 1.0 HH22 A:ARG528 4.3 25.3 1.0 HB2 B:PRO524 4.3 25.2 1.0 H A:ARG526 4.5 28.1 1.0 NH2 A:ARG528 4.5 21.0 1.0 HB2 A:PRO524 4.6 28.9 1.0 O A:HOH880 4.6 39.8 1.0 HD11 B:LEU525 4.6 35.8 1.0 H B:ARG526 4.6 27.2 0.6 H B:ARG526 4.7 27.3 0.5 HA A:LEU525 4.7 33.2 1.0 HH12 B:ARG526 4.7 39.8 0.5 HA B:LEU525 4.7 31.1 1.0 HD23 B:LEU525 4.8 28.1 1.0 HB3 B:LEU525 4.8 30.1 1.0 CD2 B:LEU525 4.8 23.3 1.0 HD22 A:LEU525 5.0 32.2 1.0 HD23 A:LEU525 5.0 32.2 1.0

Chlorine binding site 3 out of 4 in the Structure of Hevin Fs-Ec


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Hevin Fs-Ec within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl706 b:58.2 occ:1.00 H A:LYS439 2.4 46.2 1.0 HB3 A:CYS454 3.0 41.6 1.0 HG2 A:LYS439 3.1 71.5 1.0 N A:LYS439 3.2 38.4 1.0 HB3 A:LYS439 3.3 54.2 1.0 HA A:CYS438 3.3 45.0 1.0 HB2 A:HIS442 3.4 41.5 1.0 CD2 A:HIS442 3.5 34.2 1.0 HB2 A:CYS454 3.5 41.6 1.0 HD2 A:HIS442 3.5 41.2 1.0 CB A:CYS454 3.5 34.6 1.0 HB3 A:CYS438 3.5 47.1 1.0 CG A:HIS442 3.6 29.8 1.0 SG A:CYS454 3.6 50.7 1.0 HB3 A:HIS442 3.7 41.5 1.0 CB A:HIS442 3.8 34.5 1.0 CB A:LYS439 3.9 45.1 1.0 CG A:LYS439 3.9 59.5 1.0 CA A:CYS438 4.0 37.4 1.0 NE2 A:HIS442 4.1 37.2 1.0 C A:CYS438 4.1 39.4 1.0 CA A:LYS439 4.1 39.9 1.0 CB A:CYS438 4.1 39.2 1.0 ND1 A:HIS442 4.2 37.5 1.0 HD2 A:LYS439 4.4 68.0 1.0 HD3 A:LYS439 4.4 68.0 1.0 CE1 A:HIS442 4.4 46.1 1.0 HE2 A:HIS442 4.5 44.8 1.0 CD A:LYS439 4.5 56.6 1.0 HG3 A:LYS439 4.7 71.5 1.0 SG A:CYS438 4.7 36.4 1.0 O A:LYS439 4.7 32.5 1.0 HB2 A:LYS439 4.8 54.2 1.0 C A:LYS439 4.9 39.3 1.0 HA A:LYS439 4.9 48.0 1.0 CA A:CYS454 5.0 34.2 1.0

Chlorine binding site 4 out of 4 in the Structure of Hevin Fs-Ec


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Hevin Fs-Ec within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl709 b:50.1 occ:1.00 H A:GLN522 2.3 29.4 1.0 HE B:ARG528 2.5 50.0 1.0 HA A:ILE521 2.9 27.9 1.0 HB2 A:GLN522 3.1 34.2 1.0 HH21 B:ARG528 3.1 50.1 1.0 OD2 B:ASP529 3.1 54.9 1.0 N A:GLN522 3.2 24.4 1.0 NE B:ARG528 3.2 41.5 1.0 HZ2 B:LYS532 3.5 54.8 1.0 HD22 B:LEU525 3.6 28.1 1.0 HZ1 B:LYS532 3.6 54.8 1.0 CA A:ILE521 3.7 23.1 1.0 NH2 B:ARG528 3.7 41.7 1.0 HG23 A:ILE521 3.9 38.3 1.0 CZ B:ARG528 3.9 36.4 1.0 C A:ILE521 3.9 22.7 1.0 CB A:GLN522 4.0 28.4 1.0 HG3 B:ARG528 4.0 39.0 1.0 O A:VAL520 4.0 20.5 1.0 NZ B:LYS532 4.0 45.6 1.0 CA A:GLN522 4.1 19.5 1.0 CD B:ARG528 4.2 32.8 1.0 HD3 B:ARG528 4.2 39.5 1.0 CG B:ASP529 4.2 51.0 1.0 HG2 B:ARG528 4.3 39.0 1.0 CG B:ARG528 4.4 32.4 1.0 O A:GLN522 4.4 23.3 1.0 CD2 B:LEU525 4.4 23.3 1.0 HG12 A:ILE521 4.4 44.7 1.0 HB3 A:GLN522 4.5 34.2 1.0 HE2 B:LYS532 4.5 54.6 1.0 HH22 B:ARG528 4.5 50.1 1.0 OD1 B:ASP529 4.5 62.4 1.0 O A:HOH855 4.5 33.9 1.0 HD21 B:LEU525 4.6 28.1 1.0 HD23 B:LEU525 4.6 28.1 1.0 CG2 A:ILE521 4.6 31.8 1.0 N A:ILE521 4.7 20.9 1.0 CB A:ILE521 4.7 31.8 1.0 HZ3 B:LYS532 4.7 54.8 1.0 C A:GLN522 4.7 24.4 1.0 C A:VAL520 4.7 26.9 1.0 HG22 A:ILE521 4.8 38.3 1.0 HG2 A:GLN522 4.9 28.6 1.0 CE B:LYS532 4.9 45.4 1.0 HA A:GLN522 4.9 23.6 1.0 CG1 A:ILE521 5.0 37.1 1.0

S.Fan, S.P.Gangwar, M.Machius, G.Rudenko. Interplay Between Hevin, Sparc, and Mdgas: Modulators of Neurexin-Neuroligin Transsynaptic Bridges Structure 2021.
ISSN: ISSN 0969-2126
DOI: 10.1016/J.STR.2021.01.003