Chlorine in PDB 8u2s: Crystal Structure of Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form)

The structure of Crystal Structure of Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form), PDB code: 8u2s was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	91.08 / 2.52
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	91.206, 61.815, 134.81, 90, 92.98, 90
R / Rfree (%)	18.6 / 21.9

The structure of Crystal Structure of Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form) also contains other interesting chemical elements:

Arsenic

(As)

7 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form) (pdb code 8u2s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 14 binding sites of Chlorine where determined in the Crystal Structure of Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form), PDB code: 8u2s:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 14 in the Crystal Structure of Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form)


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 Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl805 b:88.8 occ:1.00 NH2 A:ARG636 3.3 69.4 1.0 NH1 A:ARG636 3.7 67.7 1.0 CZ A:ARG636 4.0 72.0 1.0 CB A:PRO641 4.6 45.2 1.0 NZ A:LYS240 4.8 103.3 1.0

Chlorine binding site 2 out of 14 in the Crystal Structure of Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form)


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 Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl806 b:75.5 occ:1.00 NZ A:LYS113 2.7 87.4 1.0 CE A:LYS113 4.0 82.5 1.0 CD A:LYS113 4.9 65.2 1.0 OE2 A:GLU116 4.9 84.1 1.0

Chlorine binding site 3 out of 14 in the Crystal Structure of Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form)


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 Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl807 b:75.7 occ:1.00 NZ A:LYS99 3.5 46.4 1.0 CE A:LYS99 4.0 45.1 1.0 CB A:ASN74 4.9 41.5 1.0

Chlorine binding site 4 out of 14 in the Crystal Structure of Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form)


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 Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl808 b:76.4 occ:1.00 OG A:SER558 3.6 68.4 1.0 CB A:ASP557 3.7 50.8 1.0 N A:SER558 3.7 55.9 1.0 NH1 A:ARG555 4.0 77.0 1.0 CA A:ASP557 4.1 54.5 1.0 CB A:SER558 4.2 59.8 1.0 C A:ASP557 4.4 48.6 1.0 CA A:SER558 4.6 62.2 1.0 NH2 A:ARG555 4.7 84.6 1.0 CZ A:ARG555 4.9 96.3 1.0 CG A:ASP557 4.9 55.2 1.0 CB A:PRO512 5.0 69.6 1.0

Chlorine binding site 5 out of 14 in the Crystal Structure of Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form)


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 Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl809 b:83.4 occ:1.00 NH1 A:ARG65 3.7 51.4 1.0 CB A:HIS59 4.0 63.5 1.0 CA A:GLY61 4.0 45.9 1.0 CD2 A:HIS59 4.3 72.4 1.0 N A:GLY61 4.3 54.6 1.0 CG A:HIS59 4.4 71.7 1.0 C A:GLY61 4.6 58.5 1.0 N A:SER62 4.7 52.5 1.0 CZ A:ARG65 4.7 79.1 1.0 NH2 A:ARG65 4.8 69.0 1.0

Chlorine binding site 6 out of 14 in the Crystal Structure of Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form)


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 Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl810 b:78.3 occ:1.00 N A:LEU60 3.7 49.5 1.0 CA A:HIS59 4.0 61.0 1.0 ND1 A:HIS59 4.0 72.4 1.0 CB A:HIS59 4.2 63.5 1.0 C A:HIS59 4.4 49.9 1.0 CB A:LEU60 4.4 47.2 1.0 CG A:HIS59 4.5 71.7 1.0 CA A:LEU60 4.7 53.0 1.0 OE1 A:GLU45 4.8 64.7 1.0 O A:PRO58 4.8 68.7 1.0

Chlorine binding site 7 out of 14 in the Crystal Structure of Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form)


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 Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl811 b:58.5 occ:1.00 NZ A:LYS657 3.0 70.8 1.0 CE A:LYS657 4.2 59.7 1.0 CD A:LYS657 4.4 79.5 1.0 OE1 A:GLU596 4.9 58.9 1.0

Chlorine binding site 8 out of 14 in the Crystal Structure of Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form)


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 Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl807 b:80.5 occ:1.00 NH2 B:ARG636 3.5 58.4 1.0 NH1 B:ARG636 4.1 67.6 1.0 NZ B:LYS240 4.2 108.0 1.0 CZ B:ARG636 4.3 64.2 1.0 NH1 B:ARG237 4.3 99.5 1.0 CB B:PRO641 4.5 50.3 1.0 NH2 B:ARG237 4.7 101.5 1.0 CZ B:ARG237 4.9 102.2 1.0

Chlorine binding site 9 out of 14 in the Crystal Structure of Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form)


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 Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl808 b:73.2 occ:1.00 OG B:SER558 3.7 73.8 1.0 CB B:ASP557 3.8 57.6 1.0 N B:SER558 4.0 60.8 1.0 NH1 B:ARG555 4.3 76.0 1.0 CA B:ASP557 4.4 52.7 1.0 CB B:SER558 4.5 53.1 1.0 C B:ASP557 4.7 60.3 1.0 CA B:SER558 4.9 63.1 1.0 CG B:ASP557 4.9 57.4 1.0

Chlorine binding site 10 out of 14 in the Crystal Structure of Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl809 b:61.1 occ:1.00 NZ B:LYS113 3.2 85.7 1.0 OG B:SER100 3.3 72.6 1.0 OE2 B:GLU116 3.4 77.1 1.0 CB B:SER100 4.0 56.0 1.0 CD B:GLU116 4.3 62.3 1.0 OE1 B:GLU116 4.6 72.3 1.0 CE B:LYS113 4.6 77.0 1.0

L.Liu, S.Lovell, K.P.Battaile. Crystal Structure of Acetyl-Coenzyme A Synthetase From Leishmania Infantum (Ethyl Amp Bound, P21 Form) To Be Published.