Chlorine in PDB 6q9r: Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin

The structure of Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin, PDB code: 6q9r was solved by E.Scalone, F.Boni, M.Milani, M.Eloise, M.De Rosa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	75.26 / 2.73
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	169.848, 169.848, 150.513, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 26

The binding sites of Chlorine atom in the Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin (pdb code 6q9r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin, PDB code: 6q9r:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in the Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:72.4 occ:1.00 O A:HOH959 2.9 52.7 1.0 NH2 A:ARG172 3.3 37.6 1.0 O A:GLU126 3.7 46.6 1.0 CD2 A:PHE125 4.1 70.0 1.0 CD1 A:LEU131 4.3 45.0 1.0 CA A:PHE125 4.3 47.5 1.0 CZ A:ARG172 4.4 43.2 1.0 C A:PHE125 4.5 43.0 1.0 CE2 A:PHE125 4.5 69.4 1.0 O A:GLY124 4.5 55.3 1.0 N A:GLU126 4.5 40.9 1.0 NH1 A:ARG172 4.6 48.0 1.0 C A:GLU126 4.8 44.5 1.0 CG2 A:VAL170 4.9 69.3 1.0 CG A:PHE125 4.9 64.4 1.0 NE2 A:GLN349 4.9 44.1 1.0

Chlorine binding site 2 out of 9 in the Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:74.5 occ:1.00 OE1 A:GLN409 3.1 44.6 1.0 NE2 A:HIS410 3.8 56.1 1.0 CB A:GLN409 3.8 47.8 1.0 O A:VAL393 3.9 54.2 1.0 OD1 A:ASP632 3.9 78.7 1.0 CD A:GLN409 4.1 44.0 1.0 CE1 A:HIS410 4.3 55.7 1.0 O A:GLN409 4.3 51.3 1.0 CD2 A:HIS410 4.4 53.4 1.0 CG A:GLN409 4.5 43.5 1.0 N A:VAL393 4.6 56.7 1.0 C A:VAL393 4.7 53.8 1.0 CB A:ARG392 4.7 45.9 1.0 C A:GLN409 4.8 45.8 1.0 CA A:ARG392 4.8 46.9 1.0 CA A:GLN409 4.8 45.6 1.0 C A:ARG392 4.9 57.0 1.0 O A:ASP632 5.0 71.9 1.0 CD A:ARG392 5.0 44.3 1.0

Chlorine binding site 3 out of 9 in the Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:79.6 occ:1.00 O A:GLU31 3.6 94.6 1.0 CB A:GLU31 4.6 94.1 1.0 C A:GLU31 4.7 97.9 1.0

Chlorine binding site 4 out of 9 in the Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl804 b:71.0 occ:1.00 O A:HOH985 2.9 70.5 1.0 OH A:TYR453 3.5 61.1 1.0 CB A:ARG458 3.7 88.2 1.0 NE A:ARG458 3.8 97.3 1.0 CE1 A:TYR453 4.0 57.1 1.0 CZ A:TYR453 4.2 58.6 1.0 CD A:ARG458 4.3 95.2 1.0 O A:GLU725 4.4 47.9 1.0 O A:ARG458 4.5 77.7 1.0 CG A:ARG458 4.6 92.3 1.0 C A:ARG458 4.6 78.7 1.0 O A:GLN459 4.7 71.5 1.0 O A:HIS455 4.7 55.7 1.0 CA A:ARG458 4.8 84.3 1.0 CZ A:ARG458 4.8 98.2 1.0 NH2 A:ARG458 4.9 98.2 1.0 C A:GLN459 4.9 68.3 1.0 CD A:PRO727 4.9 49.2 1.0

Chlorine binding site 5 out of 9 in the Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl805 b:82.3 occ:1.00 N A:LEU33 4.0 98.3 1.0 CD2 A:LEU108 4.0 59.6 1.0 CD1 A:LEU33 4.2 49.5 1.0 CB A:PHE32 4.3 0.0 1.0 O A:LEU33 4.4 95.0 1.0 CA A:PHE32 4.4 0.8 1.0 C A:PHE32 4.6 0.0 1.0 CB A:LEU33 4.8 72.6 1.0 CA A:LEU33 4.8 88.2 1.0

Chlorine binding site 6 out of 9 in the Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl806 b:81.9 occ:1.00 NZ A:LYS503 3.0 68.6 1.0 CE A:LYS503 3.6 68.4 1.0 CD A:LYS503 3.7 67.6 1.0 O A:ASP678 3.8 61.2 1.0 CG A:LYS503 3.8 64.6 1.0 O A:GLU504 3.9 54.8 1.0 CB A:ASP678 3.9 56.3 1.0 CA A:ASP678 4.4 55.1 1.0 CG A:ASP678 4.4 62.3 1.0 C A:GLU504 4.5 51.7 1.0 C A:ASP678 4.6 55.2 1.0 C A:LYS503 4.7 52.8 1.0 CA A:PRO505 4.7 45.1 1.0 OD1 A:ASP678 4.7 67.5 1.0 O A:LYS503 4.8 52.9 1.0 CD A:PRO716 4.8 48.4 1.0 N A:PRO505 4.9 52.8 1.0 CG A:PRO716 4.9 43.5 1.0 CA A:LYS503 4.9 52.9 1.0 CB A:LYS503 4.9 56.9 1.0 OD2 A:ASP678 5.0 66.0 1.0 N A:GLU504 5.0 51.7 1.0

Chlorine binding site 7 out of 9 in the Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:72.3 occ:1.00 OH B:TYR87 3.3 49.9 1.0 NE B:ARG120 3.4 50.5 1.0 CD B:ARG120 4.2 44.2 1.0 CZ B:TYR87 4.3 42.3 1.0 NH2 B:ARG120 4.3 57.8 1.0 CZ B:ARG120 4.3 53.4 1.0 CB B:ALA102 4.4 39.5 1.0 CE2 B:TYR87 4.5 37.7 1.0 OG B:SER336 4.8 64.3 1.0

Chlorine binding site 8 out of 9 in the Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:85.7 occ:1.00 NH1 B:ARG629 2.8 79.0 1.0 O B:HOH984 3.4 51.3 1.0 NH1 B:ARG542 3.6 78.6 1.0 CZ B:ARG629 4.0 79.2 1.0 CZ B:ARG542 4.4 80.3 1.0 NH2 B:ARG542 4.4 78.8 1.0 NH2 B:ARG629 4.5 80.8 1.0 ND2 B:ASN562 4.7 71.8 1.0

Chlorine binding site 9 out of 9 in the Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Pathological N184K Variant of Calcium-Free Human Gelsolin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl803 b:0.1 occ:1.00 NH1 B:ARG161 3.9 67.3 1.0 O B:HOH1016 3.9 70.1 1.0 CZ B:ARG161 4.3 65.6 1.0 CG2 B:VAL159 4.3 46.3 1.0 CG1 B:VAL159 4.3 49.8 1.0 NH2 B:ARG225 4.4 57.6 1.0 CD B:ARG161 4.5 63.7 1.0 NE B:ARG161 4.5 63.0 1.0 NZ B:LYS141 4.7 54.7 1.0 CG1 B:VAL153 4.8 80.4 1.0 OE1 B:GLU224 4.8 71.9 1.0 NH2 B:ARG161 4.9 64.3 1.0 CB B:VAL159 5.0 49.5 1.0

M.De Rosa, A.Barbiroli, F.Boni, E.Scalone, D.Mattioni, M.A.Vanoni, M.Patrone, M.Bollati, E.Mastrangelo, T.Giorgino, M.Milani. The Structure of N184K Amyloidogenic Variant of Gelsolin Highlights the Role of the H-Bond Network For Protein Stability and Aggregation Properties. Eur.Biophys.J. 2019.
ISSN: ISSN 0175-7571
PubMed: 31724080
DOI: 10.1007/S00249-019-01409-9