Chlorine in PDB 3tjq: N-Domain of HTRA1

The structure of N-Domain of HTRA1, PDB code: 3tjq was solved by C.Eigenbrot, M.Ultsch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.085, 72.085, 41.289, 90.00, 90.00, 120.00
R / Rfree (%)	21.7 / 27

The structure of N-Domain of HTRA1 also contains other interesting chemical elements:

Platinum

(Pt)

3 atoms

The binding sites of Chlorine atom in the N-Domain of HTRA1 (pdb code 3tjq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the N-Domain of HTRA1, PDB code: 3tjq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the N-Domain of HTRA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of N-Domain of HTRA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4 b:30.2 occ:0.56 PT A:PT1 2.2 32.8 0.6 O A:HOH180 2.5 39.8 1.0 CL A:CL6 3.3 23.7 0.6 CL A:CL5 3.5 37.1 0.6 PT A:PT1 3.8 46.9 0.4

Chlorine binding site 2 out of 8 in the N-Domain of HTRA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of N-Domain of HTRA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5 b:37.1 occ:0.55 CL A:CL5 0.0 37.1 0.6 PT A:PT1 2.4 32.8 0.6 CL A:CL5 2.8 45.9 0.5 PT A:PT1 3.0 46.9 0.4 CL A:CL4 3.5 30.2 0.6 O A:HOH180 3.7 39.8 1.0 CL A:CL6 4.9 23.7 0.6

Chlorine binding site 3 out of 8 in the N-Domain of HTRA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of N-Domain of HTRA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5 b:45.9 occ:0.45 CL A:CL5 0.0 45.9 0.5 PT A:PT1 2.2 46.9 0.4 CL A:CL5 2.8 37.1 0.6 PT A:PT1 3.3 32.8 0.6 CA A:ALA113 4.6 30.6 1.0 CG2 A:VAL111 4.7 31.9 1.0 O A:ALA113 4.8 30.9 1.0 CL A:CL6 4.8 25.9 0.4 CB A:GLN88 4.9 32.5 1.0 O A:CYS112 4.9 25.6 1.0 CL A:CL6 4.9 23.7 0.6 CG A:GLN88 4.9 44.9 1.0

Chlorine binding site 4 out of 8 in the N-Domain of HTRA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of N-Domain of HTRA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl6 b:23.7 occ:0.58 CL A:CL6 0.0 23.7 0.6 CL A:CL6 2.2 25.9 0.4 PT A:PT1 2.5 32.8 0.6 PT A:PT1 2.7 46.9 0.4 CL A:CL4 3.3 30.2 0.6 CG1 A:VAL90 3.9 25.5 1.0 CB A:VAL90 4.5 23.3 1.0 CL A:CL5 4.9 37.1 0.6 CL A:CL5 4.9 45.9 0.5

Chlorine binding site 5 out of 8 in the N-Domain of HTRA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of N-Domain of HTRA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl6 b:25.9 occ:0.42 CL A:CL6 0.0 25.9 0.4 CL A:CL6 2.2 23.7 0.6 PT A:PT1 3.0 46.9 0.4 CG1 A:VAL90 3.8 25.5 1.0 PT A:PT1 3.8 32.8 0.6 CG2 A:VAL111 4.1 31.9 1.0 CB A:VAL90 4.4 23.3 1.0 CG2 A:VAL90 4.5 32.0 1.0 CG1 A:VAL111 4.6 24.5 1.0 CB A:VAL111 4.8 26.5 1.0 CL A:CL5 4.8 45.9 0.5

Chlorine binding site 6 out of 8 in the N-Domain of HTRA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of N-Domain of HTRA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl7 b:37.9 occ:0.65 PT A:PT2 2.2 32.4 0.3 O A:HOH12 2.9 29.8 1.0 CL A:CL8 3.7 43.1 0.6 CD2 A:HIS52 3.8 39.4 1.0 CG A:ARG137 3.9 28.6 1.0 OE2 A:GLU140 4.1 63.3 1.0 CD A:GLU140 4.2 53.6 1.0 O A:HOH177 4.2 35.6 1.0 NE2 A:HIS52 4.3 35.7 1.0 OE1 A:GLU140 4.3 51.6 1.0 CL A:CL161 4.5 46.8 1.0 CD A:ARG137 4.6 29.8 1.0 CG A:GLU140 4.8 48.2 1.0 CA A:ARG137 4.9 26.3 1.0 CB A:ARG137 4.9 26.8 1.0 CG A:HIS52 5.0 38.2 1.0

Chlorine binding site 7 out of 8 in the N-Domain of HTRA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of N-Domain of HTRA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl8 b:43.1 occ:0.64 PT A:PT2 2.5 32.4 0.3 O A:HOH177 3.2 35.6 1.0 O A:HOH12 3.5 29.8 1.0 CG A:ARG137 3.6 28.6 1.0 CL A:CL7 3.7 37.9 0.7 NH1 A:ARG137 3.7 26.1 1.0 O A:ARG133 4.0 25.7 1.0 CD A:ARG137 4.1 29.8 1.0 CB A:ARG133 4.1 23.3 1.0 NE A:ARG133 4.2 41.0 1.0 CG A:ARG133 4.4 25.0 1.0 C A:ARG133 4.6 25.1 1.0 CA A:ARG133 4.6 26.2 1.0 NH2 A:ARG133 4.7 40.1 1.0 CZ A:ARG137 4.8 25.7 1.0 CZ A:ARG133 4.8 34.2 1.0 NE A:ARG137 4.9 24.7 1.0 O A:HOH167 4.9 27.9 1.0 CB A:ARG137 4.9 26.8 1.0 CB A:SER136 4.9 32.8 1.0 CD A:ARG133 5.0 28.4 1.0

Chlorine binding site 8 out of 8 in the N-Domain of HTRA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of N-Domain of HTRA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl161 b:46.8 occ:1.00 NE A:ARG57 3.2 46.1 1.0 N A:CYS53 3.4 27.8 1.0 O A:HOH177 3.4 35.6 1.0 CD A:ARG57 3.5 42.1 1.0 PT A:PT2 3.6 32.4 0.3 CD A:ARG137 3.6 29.8 1.0 CZ A:ARG57 3.7 47.3 1.0 CG A:ARG57 3.8 33.9 1.0 CA A:GLY56 3.9 20.4 1.0 CB A:CYS53 4.1 20.1 1.0 CA A:HIS52 4.1 28.1 1.0 O A:CYS53 4.1 26.4 1.0 NH2 A:ARG57 4.1 48.1 1.0 C A:GLY56 4.2 30.6 1.0 C A:HIS52 4.2 28.7 1.0 CA A:CYS53 4.2 29.7 1.0 N A:ARG57 4.2 26.1 1.0 NH1 A:ARG57 4.5 38.0 1.0 CL A:CL7 4.5 37.9 0.7 SG A:CYS53 4.6 27.4 1.0 CG A:ARG137 4.6 28.6 1.0 CB A:HIS52 4.6 33.8 1.0 C A:CYS53 4.6 28.2 1.0 NE A:ARG137 4.7 24.7 1.0 O A:GLU51 4.7 32.1 1.0 O A:HOH167 4.8 27.9 1.0 N A:GLY56 4.8 25.0 1.0 CD2 A:HIS52 4.8 39.4 1.0 O A:GLY56 4.9 24.0 1.0 CB A:ARG57 4.9 27.3 1.0 CA A:ARG57 5.0 25.5 1.0

C.Eigenbrot, M.Ultsch, M.T.Lipari, P.Moran, S.J.Lin, R.Ganesan, C.Quan, J.Tom, W.Sandoval, M.Van Lookeren Campagne, D.Kirchhofer. Structural and Functional Analysis of HTRA1 and Its Subdomains. Structure V. 20 1040 2012.
ISSN: ISSN 0969-2126
PubMed: 22578544
DOI: 10.1016/J.STR.2012.03.021