Chlorine in PDB 6a1d: Crystal Structure of A Synthase 1 From Santalum Album in Complex with Ligand

The structure of Crystal Structure of A Synthase 1 From Santalum Album in Complex with Ligand, PDB code: 6a1d was solved by X.Han, T.P.Ko, W.D.Liu, 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)	24.94 / 1.78
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	85.437, 139.487, 110.930, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 20.6

The structure of Crystal Structure of A Synthase 1 From Santalum Album in Complex with Ligand also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Synthase 1 From Santalum Album in Complex with Ligand (pdb code 6a1d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A Synthase 1 From Santalum Album in Complex with Ligand, PDB code: 6a1d:
Jump to Chlorine binding site number: 1; 2;

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


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 1 From Santalum Album in Complex with Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:39.5 occ:1.00 CLJ A:6R2601 0.0 39.5 1.0 CAX A:6R2601 1.7 41.4 1.0 PAZ A:6R2601 2.8 37.5 1.0 OAI A:6R2601 2.9 38.5 1.0 CLK A:6R2601 2.9 41.6 1.0 PAY A:6R2601 2.9 40.0 1.0 OD1 A:ASN460 3.2 30.3 1.0 O A:HOH717 3.2 32.0 1.0 OAE A:6R2601 3.3 39.3 1.0 OAG A:6R2601 3.3 41.5 1.0 NH1 A:ARG457 3.4 21.9 1.0 OAT A:6R2601 3.5 38.8 1.0 O A:HOH823 3.6 47.2 1.0 NZ A:LYS476 3.6 41.8 1.0 CAN A:6R2601 3.7 46.5 1.0 CG A:ASN460 3.7 30.7 1.0 CAQ A:6R2601 3.8 41.5 1.0 ND2 A:ASN460 4.1 34.3 1.0 OAF A:6R2601 4.1 30.6 1.0 OAH A:6R2601 4.2 30.9 1.0 CD1 A:ILE417 4.3 21.9 1.0 CZ A:ARG457 4.3 23.3 1.0 NH2 A:ARG457 4.4 21.0 1.0 CE A:LYS476 4.6 44.4 1.0 CB A:ASN460 4.7 24.0 1.0 OD1 A:ASP461 4.8 30.0 1.0

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


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 1 From Santalum Album in Complex with Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:41.6 occ:1.00 CLK A:6R2601 0.0 41.6 1.0 CAX A:6R2601 1.6 41.4 1.0 PAZ A:6R2601 2.8 37.5 1.0 PAY A:6R2601 2.8 40.0 1.0 CLJ A:6R2601 2.9 39.5 1.0 OAT A:6R2601 3.0 38.8 1.0 OAH A:6R2601 3.1 30.9 1.0 O A:HOH712 3.2 35.7 1.0 OAE A:6R2601 3.3 39.3 1.0 OAF A:6R2601 3.4 30.6 1.0 CAN A:6R2601 3.5 46.5 1.0 OD1 A:ASP316 3.8 26.1 1.0 OD2 A:ASP316 3.9 25.1 1.0 CAQ A:6R2601 3.9 41.5 1.0 CG A:ASP316 3.9 23.9 1.0 O A:HOH797 4.0 25.9 1.0 OAI A:6R2601 4.1 38.5 1.0 MG A:MG602 4.1 29.9 1.0 NH2 A:ARG457 4.2 21.0 1.0 OAG A:6R2601 4.2 41.5 1.0 MG A:MG603 4.3 29.2 1.0 CD1 A:ILE417 4.5 21.9 1.0 CAW A:6R2601 4.6 46.1 1.0 NH1 A:ARG457 4.7 21.9 1.0 O A:SER416 4.7 18.6 1.0 O A:HOH958 4.8 36.4 1.0 CB A:ASP316 4.8 24.6 1.0 CZ A:ARG457 4.9 23.3 1.0 CA A:ILE417 5.0 19.7 1.0

X.Han, T.P.Ko, W.D.Liu, C.C.Chen, R.T.Guo. Crystal Structure of A Synthase 1 From Santalum Album in Complex with Ligand To Be Published.