Chlorine in PDB 1tgg: RH3 Designed Right-Handed Coiled Coil Trimer

The structure of RH3 Designed Right-Handed Coiled Coil Trimer, PDB code: 1tgg was solved by J.J.Plecs, P.B.Harbury, P.S.Kim, T.Alber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 2.00
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	25.420, 25.420, 141.340, 90.00, 90.00, 120.00
R / Rfree (%)	23.3 / 26.9

The structure of RH3 Designed Right-Handed Coiled Coil Trimer also contains other interesting chemical elements:

Nickel

(Ni)

3 atoms

The binding sites of Chlorine atom in the RH3 Designed Right-Handed Coiled Coil Trimer (pdb code 1tgg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the RH3 Designed Right-Handed Coiled Coil Trimer, PDB code: 1tgg:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the RH3 Designed Right-Handed Coiled Coil Trimer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of RH3 Designed Right-Handed Coiled Coil Trimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl411 b:69.3 occ:1.00 NI B:NI401 2.1 25.9 1.0 O B:HOH412 2.7 24.6 1.0 OE12 B:CGU123 2.7 16.9 1.0 HZ1 B:LYS126 2.8 22.0 1.0 OE22 B:CGU119 2.9 29.1 1.0 OE12 B:CGU119 3.0 29.1 1.0 HZ3 B:LYS126 3.1 22.0 1.0 NZ B:LYS126 3.3 47.6 1.0 HZ2 B:LYS126 3.4 22.0 1.0 CD2 B:CGU119 3.7 29.1 1.0 CD1 B:CGU119 3.8 29.1 1.0 CD1 B:CGU123 4.0 16.9 1.0 OE22 B:CGU123 4.0 16.9 1.0 CG B:CGU119 4.2 29.1 1.0 OE21 B:CGU119 4.5 29.1 1.0 CG B:CGU123 4.7 16.9 1.0 CE B:LYS126 4.7 47.6 1.0 OE11 B:CGU119 4.7 29.1 1.0 CD2 B:CGU123 4.9 16.9 1.0 OE11 B:CGU123 4.9 16.9 1.0 O B:HOH527 5.0 39.6 1.0 CL B:CL431 5.0 66.4 1.0

Chlorine binding site 2 out of 5 in the RH3 Designed Right-Handed Coiled Coil Trimer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of RH3 Designed Right-Handed Coiled Coil Trimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl421 b:80.5 occ:1.00 NI B:NI402 2.0 30.4 1.0 O B:HOH520 2.7 20.5 1.0 HZ1 B:LYS115 3.0 22.0 1.0 CL B:CL422 3.2 54.2 1.0 HZ2 B:LYS115 3.4 22.0 1.0 NZ B:LYS115 3.5 48.1 1.0 HZ3 B:LYS115 3.7 22.0 1.0 CL B:CL431 4.1 66.4 1.0 O B:HOH644 4.2 39.7 1.0 OE11 B:CGU119 4.3 29.1 1.0 NI B:NI403 4.4 22.0 1.0 O B:HOH645 4.6 41.4 1.0 CL B:CL432 5.0 45.6 1.0 CE B:LYS115 5.0 48.1 1.0

Chlorine binding site 3 out of 5 in the RH3 Designed Right-Handed Coiled Coil Trimer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of RH3 Designed Right-Handed Coiled Coil Trimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl422 b:54.2 occ:1.00 NI B:NI402 2.0 30.4 1.0 CL B:CL421 3.2 80.5 1.0 CL B:CL431 4.1 66.4 1.0 NI B:NI403 4.5 22.0 1.0

Chlorine binding site 4 out of 5 in the RH3 Designed Right-Handed Coiled Coil Trimer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of RH3 Designed Right-Handed Coiled Coil Trimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl431 b:66.4 occ:1.00 NI B:NI403 2.0 22.0 1.0 OE12 B:CGU119 3.0 29.1 1.0 CL B:CL432 3.1 45.6 1.0 O B:HOH412 3.4 24.6 1.0 CD1 B:CGU119 3.8 29.1 1.0 NI B:NI401 4.0 25.9 1.0 NI B:NI402 4.0 30.4 1.0 OE11 B:CGU119 4.1 29.1 1.0 CL B:CL421 4.1 80.5 1.0 CL B:CL422 4.1 54.2 1.0 OE22 B:CGU123 4.2 16.9 1.0 O B:HOH520 4.7 20.5 1.0 CL B:CL411 5.0 69.3 1.0

Chlorine binding site 5 out of 5 in the RH3 Designed Right-Handed Coiled Coil Trimer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of RH3 Designed Right-Handed Coiled Coil Trimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl432 b:45.6 occ:1.00 NI B:NI403 2.0 22.0 1.0 OE22 B:CGU123 3.1 16.9 1.0 O B:HOH645 3.1 41.4 1.0 CL B:CL431 3.1 66.4 1.0 OE12 B:CGU119 3.6 29.1 1.0 CD2 B:CGU123 3.8 16.9 1.0 OE21 B:CGU123 3.8 16.9 1.0 CD1 B:CGU119 3.9 29.1 1.0 NI B:NI401 4.3 25.9 1.0 O B:HOH412 4.3 24.6 1.0 CG B:CGU119 4.3 29.1 1.0 OE11 B:CGU119 4.4 29.1 1.0 O B:HOH520 4.5 20.5 1.0 CB B:CGU119 4.8 16.1 1.0 CG B:GLU120 4.9 56.2 1.0 CL B:CL421 5.0 80.5 1.0

J.J.Plecs, P.B.Harbury, P.S.Kim, T.Alber. Structural Test of the Parameterized-Backbone Method For Protein Design J.Mol.Biol. V. 342 289 2004.
ISSN: ISSN 0022-2836
PubMed: 15313624
DOI: 10.1016/J.JMB.2004.06.051