Chlorine in PDB 8wxw: Falcilysin in Complex with Hemoglobin Alpha Chain Peptide

The structure of Falcilysin in Complex with Hemoglobin Alpha Chain Peptide, PDB code: 8wxw was solved by J.Q.Lin, J.Lescar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.09 / 1.86
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	94.12, 105.72, 125.36, 90, 90, 90
R / Rfree (%)	18.9 / 21

The structure of Falcilysin in Complex with Hemoglobin Alpha Chain Peptide also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Falcilysin in Complex with Hemoglobin Alpha Chain Peptide (pdb code 8wxw). 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 Hemoglobin Alpha Chain Peptide, PDB code: 8wxw:
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 Hemoglobin Alpha Chain Peptide


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 Hemoglobin Alpha Chain Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1207 b:37.8 occ:1.00 N A:SER273 3.2 29.6 1.0 O P:HOH102 3.2 49.8 1.0 ND2 A:ASN166 3.3 29.6 1.0 OG A:SER273 3.3 34.6 1.0 O A:ASN271 3.5 31.6 1.0 O A:HOH1458 3.6 42.2 1.0 O A:HOH1315 3.7 45.0 1.0 CB A:ASN166 3.7 24.0 1.0 CA A:ASN166 3.7 24.2 1.0 O A:HOH1839 3.8 40.4 1.0 CB A:SER273 3.9 30.6 1.0 CA A:ASN272 3.9 33.0 1.0 CG A:ASN166 4.0 27.8 1.0 C A:ASN272 4.0 30.8 1.0 CA A:SER273 4.1 31.0 1.0 CE1 A:HIS257 4.2 38.9 1.0 OD1 A:ASN272 4.3 33.9 1.0 N A:ASN166 4.3 25.0 1.0 N A:GLY274 4.5 30.2 1.0 C A:ASN271 4.5 35.2 1.0 ND1 A:HIS257 4.6 38.8 1.0 NZ P:LYS40 4.6 50.9 1.0 N A:ASN272 4.7 30.5 1.0 C A:SER273 4.8 30.8 1.0 CG A:ASN272 4.9 36.7 1.0 CB A:ASN272 5.0 34.5 1.0 C A:ASN166 5.0 27.1 1.0 C A:PHE165 5.0 27.6 1.0

Chlorine binding site 2 out of 6 in the Falcilysin in Complex with Hemoglobin Alpha Chain Peptide


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 Hemoglobin Alpha Chain Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1208 b:37.8 occ:1.00 O A:HOH1891 2.5 42.1 1.0 O A:HOH1677 3.2 28.4 1.0 N A:HIS122 3.3 32.6 1.0 OG A:SER123 3.3 30.4 1.0 N A:SER123 3.7 33.5 1.0 O A:HOH1976 3.9 52.5 1.0 CD1 A:ILE127 4.0 27.4 1.0 CA A:THR121 4.0 28.6 1.0 CB A:SER123 4.1 31.6 1.0 C A:HIS122 4.1 37.0 1.0 CA A:HIS122 4.1 31.5 1.0 C A:THR121 4.2 32.5 1.0 CB A:THR121 4.2 32.3 1.0 CE2 A:PHE291 4.4 25.1 1.0 CA A:SER123 4.4 38.2 1.0 CB A:HIS122 4.4 34.9 1.0 CD2 A:PHE291 4.6 30.2 1.0 O A:SER123 4.6 33.3 1.0 CG1 A:ILE127 4.7 30.5 1.0 C A:SER123 4.8 38.8 1.0 CG2 A:THR121 4.9 33.2 1.0 O A:HIS122 4.9 35.8 1.0 ND1 A:HIS122 5.0 37.7 1.0

Chlorine binding site 3 out of 6 in the Falcilysin in Complex with Hemoglobin Alpha Chain Peptide


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 Hemoglobin Alpha Chain Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1209 b:66.0 occ:1.00 O A:HOH1687 2.5 40.9 1.0 CD1 A:LEU782 4.2 30.0 1.0 CD2 A:LEU782 4.4 34.4 1.0 NH2 A:ARG774 4.4 32.5 1.0 CB A:ASN831 4.5 32.6 1.0 CG1 A:ILE832 4.7 30.4 1.0 CG A:LEU782 4.9 31.2 1.0 ND2 A:ASN831 4.9 33.1 1.0

Chlorine binding site 4 out of 6 in the Falcilysin in Complex with Hemoglobin Alpha Chain Peptide


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 Hemoglobin Alpha Chain Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1210 b:63.3 occ:1.00 ND2 A:ASN1177 3.2 40.7 1.0 O A:HOH1597 3.5 46.5 1.0 CB A:ASN1177 4.1 37.9 1.0 CG A:ASN1177 4.2 39.9 1.0 CG A:GLU1174 4.4 51.2 1.0 CA A:GLU1174 4.4 46.2 1.0 O A:LYS1173 4.8 42.0 1.0 OE2 A:GLU1174 4.8 56.9 1.0 CE A:LYS1173 4.8 47.0 1.0 CD A:GLU1174 4.8 56.3 1.0 CB A:GLU1174 4.8 45.0 1.0 CG A:LYS1173 4.9 41.8 1.0 N A:GLU1174 5.0 44.0 1.0

Chlorine binding site 5 out of 6 in the Falcilysin in Complex with Hemoglobin Alpha Chain Peptide


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 Hemoglobin Alpha Chain Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1211 b:37.8 occ:1.00 O A:HOH1374 3.0 35.2 1.0 NH2 A:ARG783 3.1 26.2 1.0 O A:HOH1894 3.1 31.1 1.0 NH1 A:ARG783 3.2 26.0 1.0 CD A:PRO427 3.5 27.1 1.0 CZ A:ARG783 3.6 25.8 1.0 CB A:THR426 4.0 29.8 1.0 CG2 A:THR426 4.2 29.2 1.0 CA A:THR426 4.3 27.1 1.0 OE1 A:GLU768 4.4 31.5 1.0 CG A:PRO427 4.4 33.4 1.0 O A:HOH1454 4.5 31.8 1.0 CB A:GLU768 4.7 24.6 1.0 O A:HOH1415 4.7 27.9 1.0 N A:PRO427 4.7 28.3 1.0 CG1 A:VAL780 4.8 23.3 1.0 NE A:ARG783 4.9 24.6 1.0

Chlorine binding site 6 out of 6 in the Falcilysin in Complex with Hemoglobin Alpha Chain Peptide


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 Hemoglobin Alpha Chain Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1212 b:41.0 occ:1.00 O A:HOH1516 3.1 31.2 1.0 ND2 A:ASN857 3.1 33.4 1.0 ND2 A:ASN442 3.3 35.4 1.0 NZ A:LYS860 3.5 50.4 1.0 CE A:LYS466 3.6 41.8 1.0 CB A:ASN857 3.7 27.5 1.0 CG A:ASN857 3.9 31.3 1.0 NZ A:LYS466 4.0 43.9 1.0 CB A:ASN442 4.0 27.6 1.0 CA A:GLY464 4.0 29.2 1.0 CA A:ASN857 4.1 28.2 1.0 CG A:ASN442 4.2 34.4 1.0 CD A:LYS860 4.4 45.7 1.0 CE A:LYS860 4.4 46.8 1.0 OE1 A:GLU362 4.4 40.8 1.0 N A:ASN857 4.6 24.4 1.0 O A:HOH1980 4.6 39.0 1.0 O A:GLY464 4.8 30.3 1.0 C A:GLY464 4.9 28.6 1.0 CD A:LYS466 4.9 39.2 1.0

J.Q.Lin, J.Lescar. Falcilysin in Complex with Hemoglobin Alpha Chain Peptide To Be Published.