Chlorine in PDB 6a2d: Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1

The structure of Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1, PDB code: 6a2d was solved by X.Han, T.P.Ko, W.D.Liu, Y.Y.Zheng, C.C.Chen, R.T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.96
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	132.527, 132.527, 141.903, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 22.5

The structure of Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1 also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1 (pdb code 6a2d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1, PDB code: 6a2d:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1


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 A Synthase 2 From Santalum Album in Complex with LIGAND1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl900 b:33.2 occ:1.00 CLJ A:6R2900 0.0 33.2 1.0 CAX A:6R2900 1.8 32.3 1.0 PAY A:6R2900 2.8 31.9 1.0 CLK A:6R2900 2.9 32.4 1.0 PAZ A:6R2900 2.9 28.9 1.0 O A:HOH1346 3.0 35.0 1.0 OAT A:6R2900 3.1 35.9 1.0 OAE A:6R2900 3.1 22.7 1.0 OAG A:6R2900 3.3 28.0 1.0 O A:HOH1021 3.4 32.5 1.0 OAF A:6R2900 3.5 32.8 1.0 CAN A:6R2900 3.7 42.7 1.0 OD1 A:ASP316 3.7 19.8 1.0 OD2 A:ASP316 3.8 21.2 1.0 CG A:ASP316 3.8 19.5 1.0 O A:HOH1347 3.9 37.3 1.0 CAQ A:6R2900 4.0 39.1 1.0 O A:HOH1107 4.1 27.3 1.0 NH2 A:ARG457 4.2 19.5 1.0 OAI A:6R2900 4.2 33.3 1.0 OAH A:6R2900 4.2 32.4 1.0 MG A:MG901 4.3 22.8 1.0 MG A:MG902 4.3 25.6 1.0 CD1 A:ILE417 4.4 17.5 1.0 O A:HOH1216 4.6 29.1 1.0 O A:SER416 4.6 20.3 1.0 CAW A:6R2900 4.7 48.4 1.0 CB A:ASP316 4.8 17.7 1.0 CA A:ILE417 4.8 17.3 1.0 NH1 A:ARG457 4.9 17.7 1.0 CZ A:ARG457 4.9 17.4 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1


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 A Synthase 2 From Santalum Album in Complex with LIGAND1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl900 b:32.4 occ:1.00 CLK A:6R2900 0.0 32.4 1.0 CAX A:6R2900 1.8 32.3 1.0 CLJ A:6R2900 2.9 33.2 1.0 PAY A:6R2900 3.0 31.9 1.0 PAZ A:6R2900 3.0 28.9 1.0 OAI A:6R2900 3.0 33.3 1.0 OD1 A:ASN460 3.1 20.9 1.0 OAG A:6R2900 3.3 28.0 1.0 OAH A:6R2900 3.4 32.4 1.0 O A:HOH1074 3.4 28.4 1.0 NH1 A:ARG457 3.4 17.7 1.0 O A:HOH1050 3.5 36.4 1.0 OAT A:6R2900 3.6 35.9 1.0 CAN A:6R2900 3.6 42.7 1.0 NZ A:LYS476 3.7 46.1 1.0 CG A:ASN460 3.8 25.5 1.0 CAQ A:6R2900 3.9 39.1 1.0 CD1 A:ILE417 4.0 17.5 1.0 ND2 A:ASN460 4.1 27.5 1.0 CZ A:ARG457 4.1 17.4 1.0 NH2 A:ARG457 4.2 19.5 1.0 OAE A:6R2900 4.2 22.7 1.0 OAF A:6R2900 4.3 32.8 1.0 CB A:ASN460 4.7 20.2 1.0 CAW A:6R2900 4.9 48.4 1.0 OD1 A:ASP461 5.0 17.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1


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 A Synthase 2 From Santalum Album in Complex with LIGAND1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl900 b:46.8 occ:1.00 CLJ B:6R2900 0.0 46.8 1.0 CAX B:6R2900 1.8 52.5 1.0 PAZ B:6R2900 2.9 50.9 1.0 PAY B:6R2900 2.9 49.2 1.0 O B:HOH1227 3.0 39.0 1.0 CLK B:6R2900 3.0 52.6 1.0 OAT B:6R2900 3.2 50.8 1.0 OAE B:6R2900 3.3 40.6 1.0 OAG B:6R2900 3.4 48.2 1.0 OAF B:6R2900 3.5 39.5 1.0 O B:HOH1049 3.6 38.4 1.0 OD1 B:ASP316 3.8 36.5 1.0 OD2 B:ASP316 4.0 31.6 1.0 CG B:ASP316 4.0 31.2 1.0 O B:HOH1046 4.0 40.9 1.0 CAN B:6R2900 4.0 61.8 1.0 MG B:MG902 4.1 37.1 1.0 CAQ B:6R2900 4.2 56.0 1.0 OAH B:6R2900 4.3 47.6 1.0 NH2 B:ARG457 4.3 36.5 1.0 OAI B:6R2900 4.3 55.7 1.0 CD1 B:ILE417 4.3 43.9 1.0 CA B:ILE417 4.7 35.6 1.0 MG B:MG901 4.7 44.7 1.0 NH1 B:ARG457 4.7 40.2 1.0 O B:SER416 4.8 38.2 1.0 CB B:ASP316 4.9 35.7 1.0 CZ B:ARG457 4.9 33.4 1.0 CAW B:6R2900 4.9 62.4 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of A Synthase 2 From Santalum Album in Complex with LIGAND1


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 A Synthase 2 From Santalum Album in Complex with LIGAND1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl900 b:52.6 occ:1.00 CLK B:6R2900 0.0 52.6 1.0 CAX B:6R2900 1.8 52.5 1.0 PAZ B:6R2900 3.0 50.9 1.0 OD1 B:ASN460 3.0 46.8 1.0 OAI B:6R2900 3.0 55.7 1.0 CLJ B:6R2900 3.0 46.8 1.0 PAY B:6R2900 3.1 49.2 1.0 NH1 B:ARG457 3.2 40.2 1.0 NZ B:LYS476 3.2 95.7 1.0 OAG B:6R2900 3.3 48.2 1.0 OAH B:6R2900 3.4 47.6 1.0 OAT B:6R2900 3.6 50.8 1.0 CAN B:6R2900 3.9 61.8 1.0 CAQ B:6R2900 4.0 56.0 1.0 CG B:ASN460 4.0 48.5 1.0 CD1 B:ILE417 4.1 43.9 1.0 CZ B:ARG457 4.1 33.4 1.0 CE B:LYS476 4.2 88.1 1.0 OAF B:6R2900 4.2 39.5 1.0 NH2 B:ARG457 4.3 36.5 1.0 OAE B:6R2900 4.5 40.6 1.0 OD1 B:ASP461 4.8 41.4 1.0 CB B:ASN460 4.8 42.5 1.0 ND2 B:ASN460 4.8 50.6 1.0

X.Han, T.P.Ko, W.D.Liu, Y.Y.Zheng, C.C.Chen, R.T.Guo. Crystal Structure of A Synthase 2 From Santalum Album To Be Published.