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Chlorine in PDB 3tjq: N-Domain of HTRA1

Protein crystallography data

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

Other elements in 3tjq:

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

Platinum (Pt) 3 atoms

Chlorine Binding Sites:

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 3tjq

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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 3tjq

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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 3tjq

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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 3tjq

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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 3tjq

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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 3tjq

Go back to Chlorine Binding Sites List in 3tjq
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 3tjq

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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 3tjq

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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

Reference:

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
Page generated: Sat Dec 12 10:12:25 2020

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