Chlorine in PDB 7vpe: Falcilysin in Complex with A1

The structure of Falcilysin in Complex with A1, PDB code: 7vpe was solved by J.Q.Lin, A.El Sahili, J.Lescar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.92 / 1.62
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	93.663, 106.157, 126.122, 90, 90, 90
R / Rfree (%)	18 / 19.6

The structure of Falcilysin in Complex with A1 also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the Falcilysin in Complex with A1 (pdb code 7vpe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Falcilysin in Complex with A1, PDB code: 7vpe:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Falcilysin in Complex with A1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Falcilysin in Complex with A1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1204 b:29.1 occ:1.00 O A:HOH2139 2.5 39.7 1.0 OG A:SER123 3.2 26.7 1.0 N A:HIS122 3.2 24.0 1.0 O A:HOH1695 3.2 24.3 1.0 N A:SER123 3.7 22.7 1.0 CB A:SER123 3.9 24.9 1.0 CA A:HIS122 4.0 25.0 1.0 CD1 A:ILE127 4.0 24.0 1.0 C A:HIS122 4.0 27.2 1.0 CA A:THR121 4.0 18.6 1.0 C A:THR121 4.1 21.8 1.0 CB A:THR121 4.2 22.9 1.0 CB A:HIS122 4.3 26.6 1.0 CA A:SER123 4.3 25.1 1.0 CE2 A:PHE291 4.4 21.9 1.0 CD2 A:PHE291 4.6 21.6 1.0 O A:SER123 4.7 23.9 1.0 CG1 A:ILE127 4.7 25.0 1.0 C A:SER123 4.8 27.7 1.0 O A:HIS122 4.8 28.8 1.0 CG2 A:THR121 4.8 24.5 1.0 CD2 A:HIS122 5.0 29.3 1.0

Chlorine binding site 2 out of 6 in the Falcilysin in Complex with A1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Falcilysin in Complex with A1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1205 b:29.1 occ:1.00 NE A:ARG1067 3.1 44.6 1.0 N A:ARG1067 3.2 23.8 1.0 NH2 A:ARG1067 3.2 32.2 1.0 O A:HOH1981 3.4 30.5 1.0 N A:TYR868 3.4 22.0 1.0 CD2 A:TYR868 3.5 25.6 1.0 CZ A:ARG1067 3.6 44.7 1.0 CB A:SER1008 3.7 23.8 1.0 N A:GLY867 3.8 22.1 1.0 CB A:TYR868 3.9 24.5 1.0 CA A:ARG1067 4.0 26.7 1.0 O A:ASN1007 4.0 23.6 1.0 CA A:ALA1066 4.1 22.6 1.0 C A:ALA1066 4.1 25.4 1.0 CA A:GLY867 4.2 20.4 1.0 CG A:TYR868 4.2 24.5 1.0 CG A:ARG1067 4.2 33.4 1.0 CD A:ARG1067 4.2 39.8 1.0 C A:GLY867 4.2 20.4 1.0 CA A:TYR868 4.2 23.2 1.0 OG A:SER1008 4.3 23.4 1.0 CE2 A:TYR868 4.5 31.2 1.0 CB A:ALA1066 4.5 23.8 1.0 O A:HOH1706 4.5 30.5 1.0 CA A:SER1008 4.6 22.2 1.0 C A:LYS866 4.6 24.5 1.0 C A:ASN1007 4.7 22.4 1.0 CB A:ARG1067 4.7 27.7 1.0 N A:SER1008 4.8 22.6 1.0 NH1 A:ARG1067 4.9 37.1 1.0

Chlorine binding site 3 out of 6 in the Falcilysin in Complex with A1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Falcilysin in Complex with A1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1206 b:30.6 occ:1.00 O A:HOH1797 3.1 23.6 1.0 ND2 A:ASN857 3.1 25.2 1.0 ND2 A:ASN442 3.3 29.6 1.0 CE A:LYS466 3.5 32.8 1.0 CB A:ASN857 3.7 22.1 1.0 O A:HOH2044 3.7 39.6 1.0 NZ A:LYS466 3.8 35.5 1.0 CG A:ASN857 3.9 22.3 1.0 CA A:ASN857 4.0 20.4 1.0 CB A:ASN442 4.0 18.6 1.0 CG A:ASN442 4.1 24.5 1.0 CA A:GLY464 4.2 23.4 1.0 N A:ASN857 4.4 17.4 1.0 O A:HOH2233 4.5 28.7 1.0 O A:HOH2013 4.6 42.5 1.0 OE1 A:GLU362 4.8 34.9 1.0 O A:GLY464 4.8 21.8 1.0 CD A:LYS466 4.9 28.1 1.0 CG2 A:ILE856 4.9 19.6 1.0 O A:LYS853 4.9 19.6 1.0 C A:GLY464 5.0 21.4 1.0

Chlorine binding site 4 out of 6 in the Falcilysin in Complex with A1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Falcilysin in Complex with A1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1207 b:27.3 occ:1.00 O A:HOH2169 3.1 22.7 1.0 O A:HOH1662 3.2 26.8 1.0 NH2 A:ARG783 3.2 21.5 1.0 NH1 A:ARG783 3.3 19.7 1.0 CD A:PRO427 3.5 21.9 1.0 CZ A:ARG783 3.7 19.9 1.0 CB A:THR426 3.8 18.0 1.0 CG2 A:THR426 3.9 19.8 1.0 CA A:THR426 4.2 17.6 1.0 O A:HOH2311 4.5 41.0 1.0 CG A:PRO427 4.5 20.0 1.0 O A:HOH2142 4.6 34.7 1.0 OE1 A:GLU768 4.6 22.1 1.0 N A:PRO427 4.6 20.1 1.0 O A:HOH1559 4.7 22.7 1.0 CG1 A:VAL780 4.7 18.8 1.0 CB A:GLU768 4.7 19.2 1.0 O A:HOH2333 4.8 36.0 1.0 O A:HOH1432 4.9 21.9 1.0 C A:THR426 4.9 17.9 1.0 OG1 A:THR426 5.0 18.4 1.0

Chlorine binding site 5 out of 6 in the Falcilysin in Complex with A1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Falcilysin in Complex with A1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1208 b:38.9 occ:1.00 NE A:ARG854 3.2 23.9 1.0 NZ A:LYS855 3.3 28.8 1.0 NH2 A:ARG854 3.4 22.8 1.0 O A:HOH2226 3.6 40.0 1.0 CZ A:ARG854 3.7 21.2 1.0 CE A:LYS855 3.9 23.3 1.0 CG A:LYS855 3.9 22.9 1.0 CG2 A:THR764 4.2 19.8 1.0 CD A:ARG854 4.3 24.3 1.0 CG A:ARG854 4.3 20.2 1.0 CD A:LYS855 4.5 24.2 1.0 OG1 A:THR764 4.6 23.8 1.0 O A:HOH1746 4.9 34.2 1.0

Chlorine binding site 6 out of 6 in the Falcilysin in Complex with A1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Falcilysin in Complex with A1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1209 b:31.2 occ:1.00 O A:HOH1332 3.3 32.1 1.0 N A:SER273 3.4 20.4 1.0 ND2 A:ASN166 3.4 21.5 1.0 OG A:SER273 3.5 27.8 1.0 O A:ASN271 3.5 26.8 1.0 O A:HOH2103 3.6 36.5 1.0 CB A:ASN166 3.8 17.8 1.0 CA A:ASN166 3.8 16.8 1.0 CA A:ASN272 3.9 25.1 1.0 CG A:ASN166 4.1 19.2 1.0 C A:ASN272 4.1 23.7 1.0 CB A:SER273 4.1 23.6 1.0 OD1 A:ASN272 4.2 27.2 1.0 O A:HOH1931 4.2 33.5 1.0 CE1 A:HIS257 4.2 34.1 1.0 CA A:SER273 4.3 20.0 1.0 N A:ASN166 4.4 18.1 1.0 O A:HOH1788 4.4 42.9 1.0 C A:ASN271 4.5 28.4 1.0 ND1 A:HIS257 4.6 37.5 1.0 N A:ASN272 4.7 23.0 1.0 N A:GLY274 4.7 23.7 1.0 CG A:ASN272 4.8 32.4 1.0 CB A:ASN272 4.9 27.5 1.0 CE2 A:TYR256 4.9 31.5 1.0

J.Q.Lin, J.Lescar. Title Is Not Available Yet As We Are Preparing the Manuscript. Will Update Again Once the Paper Is Out. To Be Published.