Chlorine in PDB 3tix: Crystal Structure of the CHP1-TAS3 Complex Core

The structure of Crystal Structure of the CHP1-TAS3 Complex Core, PDB code: 3tix was solved by T.Schalch, L.Joshua-Tor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.06 / 2.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	104.880, 172.200, 198.680, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 24.3

The structure of Crystal Structure of the CHP1-TAS3 Complex Core also contains other interesting chemical elements:

Potassium

(K)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of the CHP1-TAS3 Complex Core (pdb code 3tix). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of the CHP1-TAS3 Complex Core, PDB code: 3tix:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Crystal Structure of the CHP1-TAS3 Complex Core


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 the CHP1-TAS3 Complex Core within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:77.7 occ:1.00 NH1 A:ARG69 3.2 58.1 1.0 CG A:ARG69 3.8 54.1 1.0 CG2 A:THR44 4.0 56.8 1.0 O A:ALA65 4.1 60.2 1.0 CZ A:ARG69 4.2 58.0 1.0 CD A:ARG69 4.2 55.5 1.0 OG1 A:THR44 4.3 53.7 1.0 CB A:ALA65 4.4 59.9 1.0 CA B:GLY683 4.4 53.9 1.0 NE A:ARG69 4.6 56.8 1.0 CA A:ALA65 4.6 62.7 1.0 CB A:THR44 4.7 55.2 1.0 CE A:MET72 4.7 51.2 1.0 C A:ALA65 4.7 61.6 1.0 CE3 A:TRP47 4.8 60.9 1.0

Chlorine binding site 2 out of 8 in the Crystal Structure of the CHP1-TAS3 Complex Core


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 the CHP1-TAS3 Complex Core within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:68.5 occ:1.00 NH1 A:ARG69 3.3 58.1 1.0 CD2 B:TYR803 3.7 78.8 1.0 NH2 A:ARG69 3.8 59.4 1.0 CZ A:ARG69 4.0 58.0 1.0 O B:GLY683 4.1 54.8 1.0 CD1 B:ILE685 4.1 58.5 1.0 CB B:LEU772 4.2 74.7 1.0 CE2 B:TYR803 4.2 81.6 1.0 CB A:ALA65 4.3 59.9 1.0 N B:LEU772 4.4 56.4 1.0 CA B:LEU772 4.5 59.0 1.0 CG B:TYR803 4.7 76.6 1.0 CG1 B:ILE685 4.7 58.4 1.0 CD1 B:LEU772 4.8 78.8 1.0 CB B:TYR803 5.0 73.8 1.0

Chlorine binding site 3 out of 8 in the Crystal Structure of the CHP1-TAS3 Complex Core


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 the CHP1-TAS3 Complex Core within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1003 b:76.4 occ:1.00 N A:ILE6 3.3 70.5 1.0 CG1 A:ILE6 3.8 61.9 1.0 CG A:GLN5 3.9 68.9 1.0 CB A:ILE6 3.9 60.7 1.0 CD2 A:LEU9 4.0 51.8 1.0 CA A:GLN5 4.0 75.2 1.0 CD A:PRO10 4.1 52.2 1.0 CA A:ILE6 4.1 70.2 1.0 C A:GLN5 4.1 74.6 1.0 CB A:LEU9 4.2 51.5 1.0 CD1 A:ILE6 4.2 60.9 1.0 O A:ILE6 4.3 67.1 1.0 CE2 A:TYR67 4.4 58.8 1.0 CG A:LEU9 4.4 50.8 1.0 CB A:GLN5 4.5 71.5 1.0 C A:ILE6 4.7 69.0 1.0 CG A:PRO10 4.7 52.8 1.0 OH A:TYR67 4.9 59.8 1.0 N A:PRO10 4.9 54.8 1.0

Chlorine binding site 4 out of 8 in the Crystal Structure of the CHP1-TAS3 Complex Core


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 the CHP1-TAS3 Complex Core within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1002 b:62.1 occ:1.00 O B:SER702 3.2 58.5 1.0 N B:SER702 3.3 52.9 1.0 NE2 B:GLN704 3.8 63.6 1.0 CA B:GLY726 3.9 55.8 1.0 N B:GLY726 3.9 53.3 1.0 CA B:VAL701 3.9 49.7 1.0 CG B:ARG725 4.0 51.4 1.0 C B:VAL701 4.0 50.6 1.0 C B:SER702 4.0 57.5 1.0 CA B:SER702 4.0 54.4 1.0 C B:GLY726 4.2 55.7 1.0 CB B:SER702 4.3 53.8 1.0 O B:ILE700 4.3 48.7 1.0 NH2 B:ARG725 4.5 56.5 1.0 N B:LEU727 4.6 65.4 1.0 CD1 B:LEU727 4.7 63.0 1.0 O B:GLY726 4.7 53.7 1.0 CD B:ARG725 4.7 51.3 1.0 N B:VAL701 4.8 47.7 1.0 C B:ARG725 4.8 53.2 1.0 C B:ILE700 4.9 47.4 1.0 CG1 B:VAL701 4.9 52.4 1.0 CD2 B:LEU727 4.9 67.7 1.0 CB B:VAL701 5.0 50.0 1.0

Chlorine binding site 5 out of 8 in the Crystal Structure of the CHP1-TAS3 Complex Core


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 the CHP1-TAS3 Complex Core within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1002 b:85.7 occ:1.00 NH1 C:ARG69 3.1 57.8 1.0 CG2 C:THR44 3.9 49.8 1.0 CG C:ARG69 4.1 56.6 1.0 CZ C:ARG69 4.2 58.4 1.0 O C:ALA65 4.4 51.5 1.0 CE3 C:TRP47 4.4 52.5 1.0 CL D:CL1004 4.4 65.3 1.0 OG1 C:THR44 4.5 48.7 1.0 CD C:ARG69 4.5 57.5 1.0 CA D:GLY683 4.6 54.1 1.0 CB C:ALA65 4.7 61.6 1.0 CB C:THR44 4.7 49.1 1.0 CD2 C:LEU48 4.7 53.2 1.0 CZ3 C:TRP47 4.7 53.5 1.0 CE C:MET72 4.7 53.2 1.0 CA C:ALA65 4.8 53.1 1.0 NE C:ARG69 4.8 58.2 1.0 CA C:THR44 4.9 48.9 1.0 CB C:CYS68 4.9 56.6 1.0 C C:ALA65 4.9 52.6 1.0

Chlorine binding site 6 out of 8 in the Crystal Structure of the CHP1-TAS3 Complex Core


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 the CHP1-TAS3 Complex Core within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1003 b:74.5 occ:1.00 N C:ILE6 3.7 70.0 1.0 OH C:TYR67 3.8 57.0 1.0 CE2 C:TYR67 4.0 55.0 1.0 CD2 C:LEU9 4.2 50.6 1.0 CA C:GLN5 4.2 73.6 1.0 CD C:PRO10 4.3 60.8 1.0 CG C:GLN5 4.3 82.2 1.0 CB C:LEU9 4.3 50.7 1.0 CZ C:TYR67 4.4 56.2 1.0 CB C:ILE6 4.4 54.4 1.0 C C:GLN5 4.5 72.0 1.0 CG C:LEU9 4.6 50.1 1.0 CA C:ILE6 4.6 68.7 1.0 CG1 C:ILE6 4.6 55.7 1.0 CB C:GLN5 4.8 84.7 1.0 O C:ILE6 4.8 66.0 1.0 CG C:PRO10 4.9 62.4 1.0 CD1 C:ILE6 4.9 54.6 1.0 N C:PRO10 5.0 58.8 1.0

Chlorine binding site 7 out of 8 in the Crystal Structure of the CHP1-TAS3 Complex Core


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 the CHP1-TAS3 Complex Core within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1004 b:65.3 occ:1.00 O D:GLY683 3.5 54.0 1.0 NH1 C:ARG69 3.5 57.8 1.0 CD2 C:LEU48 4.0 53.2 1.0 CD2 D:TYR803 4.3 60.6 1.0 CD2 D:LEU772 4.3 87.6 1.0 C D:GLY683 4.4 54.4 1.0 CG D:TYR803 4.4 58.8 1.0 CA D:GLY683 4.4 54.1 1.0 CZ C:ARG69 4.4 58.4 1.0 CL C:CL1002 4.4 85.7 1.0 NH2 C:ARG69 4.5 59.4 1.0 CE2 D:TYR803 4.6 61.0 1.0 CD1 D:ILE685 4.6 55.8 1.0 CD1 D:TYR803 4.7 57.4 1.0 CB D:TYR803 4.8 58.6 1.0 CB C:ALA65 4.8 61.6 1.0 CG1 D:ILE685 5.0 56.0 1.0 CZ D:TYR803 5.0 59.5 1.0

Chlorine binding site 8 out of 8 in the Crystal Structure of the CHP1-TAS3 Complex Core


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 the CHP1-TAS3 Complex Core within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1002 b:64.9 occ:1.00 N D:SER702 3.4 65.9 1.0 O D:SER702 3.5 70.9 1.0 CA D:GLY726 3.6 66.9 1.0 C D:GLY726 3.7 66.4 1.0 CA D:VAL701 3.7 58.8 1.0 N D:GLY726 3.8 64.7 1.0 N D:LEU727 3.9 77.6 1.0 C D:VAL701 3.9 58.7 1.0 O D:ILE700 4.1 59.3 1.0 O D:GLY726 4.1 64.5 1.0 CG D:ARG725 4.2 63.0 1.0 CA D:SER702 4.3 66.6 1.0 C D:SER702 4.3 69.5 1.0 C D:ARG725 4.3 70.8 1.0 NE2 D:GLN704 4.4 72.4 1.0 CG D:LEU727 4.4 70.6 1.0 CD2 D:LEU727 4.5 68.2 1.0 CB D:VAL701 4.5 61.4 1.0 O D:ARG725 4.7 73.0 1.0 N D:VAL701 4.7 57.2 1.0 CB D:SER702 4.7 60.5 1.0 CA D:LEU727 4.7 77.8 1.0 C D:ILE700 4.8 57.6 1.0 CG1 D:VAL701 4.9 62.0 1.0 NE D:ARG725 4.9 63.9 1.0

T.Schalch, G.Job, S.Shanker, J.F.Partridge, L.Joshua-Tor. The CHP1-TAS3 Core Is A Multifunctional Platform Critical For Gene Silencing By Rits. Nat.Struct.Mol.Biol. V. 18 1351 2011.
ISSN: ISSN 1545-9993
PubMed: 22081013
DOI: 10.1038/NSMB.2151