Chlorine in PDB 5wyn: HTRA2 Pathogenic Mutant

Enzymatic activity of HTRA2 Pathogenic Mutant

All present enzymatic activity of HTRA2 Pathogenic Mutant:
3.4.21.108;

Protein crystallography data

The structure of HTRA2 Pathogenic Mutant, PDB code: 5wyn was solved by A.R.Wagh, K.Bose, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.82 / 2.05
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 85.646, 85.646, 126.306, 90.00, 90.00, 120.00
R / Rfree (%) 15.3 / 18.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the HTRA2 Pathogenic Mutant (pdb code 5wyn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the HTRA2 Pathogenic Mutant, PDB code: 5wyn:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 5wyn

Go back to Chlorine Binding Sites List in 5wyn
Chlorine binding site 1 out of 6 in the HTRA2 Pathogenic Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of HTRA2 Pathogenic Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:56.9
occ:1.00
N A:TYR161 3.7 35.1 1.0
CA A:GLU160 4.1 43.1 1.0
NE2 A:GLN163 4.2 43.9 1.0
C A:GLU160 4.2 41.2 1.0
O A:TYR161 4.3 33.3 1.0
CD2 A:TYR161 4.4 38.2 1.0
CB A:TYR161 4.5 32.0 1.0
O A:VAL159 4.5 49.4 1.0
CA A:TYR161 4.5 33.5 1.0
CD1 A:ILE240 4.7 44.7 1.0
CB A:GLU160 4.7 43.3 1.0
C A:TYR161 4.9 30.6 1.0
CG A:TYR161 5.0 34.4 1.0

Chlorine binding site 2 out of 6 in 5wyn

Go back to Chlorine Binding Sites List in 5wyn
Chlorine binding site 2 out of 6 in the HTRA2 Pathogenic Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of HTRA2 Pathogenic Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:55.2
occ:1.00
O A:HOH661 2.8 34.8 1.0
N A:GLU160 3.5 46.1 1.0
O A:HOH619 3.7 54.9 1.0
OD1 A:ASN158 3.8 67.2 1.0
CA A:VAL159 4.0 47.8 1.0
CB A:ARG204 4.0 29.9 1.0
CG A:PRO201 4.1 26.9 1.0
O A:ASN158 4.2 61.4 1.0
CD A:ARG204 4.3 39.8 1.0
C A:VAL159 4.3 45.6 1.0
NH1 A:ARG204 4.4 43.9 1.0
O A:GLU160 4.4 41.0 1.0
CA A:GLU160 4.4 43.1 1.0
CD A:PRO201 4.4 26.7 1.0
CG A:ARG204 4.5 35.6 1.0
C A:ASN158 4.5 58.1 1.0
CB A:GLU160 4.5 43.3 1.0
N A:VAL159 4.5 51.3 1.0
CG A:ASN158 4.7 70.1 1.0
C A:GLU160 4.7 41.2 1.0
CB A:PRO201 4.9 26.3 1.0
CB A:ASN158 4.9 62.0 1.0

Chlorine binding site 3 out of 6 in 5wyn

Go back to Chlorine Binding Sites List in 5wyn
Chlorine binding site 3 out of 6 in the HTRA2 Pathogenic Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of HTRA2 Pathogenic Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:72.2
occ:1.00
O A:VAL263 3.6 43.9 1.0
CD2 A:LEU265 3.8 51.5 1.0
CD A:PRO276 3.8 34.2 1.0
CB A:VAL263 3.9 34.0 1.0
CG A:PRO276 4.2 38.9 1.0
CG1 A:VAL263 4.4 39.5 1.0
C A:VAL263 4.5 39.6 1.0
CA A:VAL263 4.7 40.1 1.0
N A:VAL263 4.8 40.0 1.0
CG2 A:VAL263 4.8 34.6 1.0

Chlorine binding site 4 out of 6 in 5wyn

Go back to Chlorine Binding Sites List in 5wyn
Chlorine binding site 4 out of 6 in the HTRA2 Pathogenic Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of HTRA2 Pathogenic Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:60.0
occ:1.00
N A:LEU265 3.2 43.2 1.0
O A:HOH565 3.6 57.9 1.0
CA A:ILE264 3.6 38.6 1.0
O A:HOH501 3.8 41.8 1.0
CG2 A:ILE264 3.9 40.0 1.0
CG A:LEU265 3.9 49.6 1.0
C A:ILE264 3.9 40.5 1.0
O A:VAL263 4.1 43.9 1.0
CB A:LEU265 4.1 46.4 1.0
CB A:ILE264 4.2 38.6 1.0
CA A:LEU265 4.3 43.9 1.0
O A:ILE46 4.5 40.4 1.0
CD2 A:LEU265 4.5 51.5 1.0
N A:ILE264 4.6 37.0 1.0
CG1 A:ILE264 4.7 40.1 1.0
C A:VAL263 4.8 39.6 1.0
O A:HOH518 4.9 46.7 1.0

Chlorine binding site 5 out of 6 in 5wyn

Go back to Chlorine Binding Sites List in 5wyn
Chlorine binding site 5 out of 6 in the HTRA2 Pathogenic Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of HTRA2 Pathogenic Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:63.0
occ:1.00
ND1 A:HIS261 3.0 35.7 1.0
CD1 A:LEU259 3.4 42.0 1.0
O A:HOH663 3.6 62.5 1.0
CE1 A:HIS261 3.9 36.8 1.0
CG A:HIS261 3.9 37.8 1.0
O A:VAL192 3.9 44.3 1.0
CB A:HIS261 4.1 34.0 1.0
O A:LYS191 4.2 36.1 1.0
CA A:HIS261 4.4 35.0 1.0
CA A:VAL192 4.5 41.0 1.0
CG A:LEU259 4.5 41.5 1.0
C A:VAL192 4.6 41.7 1.0
O A:HOH644 4.9 56.3 1.0
CD2 A:LEU244 5.0 46.0 1.0
CG1 A:VAL192 5.0 39.7 1.0
CD2 A:LEU234 5.0 42.7 1.0

Chlorine binding site 6 out of 6 in 5wyn

Go back to Chlorine Binding Sites List in 5wyn
Chlorine binding site 6 out of 6 in the HTRA2 Pathogenic Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of HTRA2 Pathogenic Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:40.7
occ:1.00
N A:GLY230 3.0 31.4 1.0
N A:ILE229 3.2 35.6 1.0
O A:HOH660 3.3 60.5 1.0
O A:HOH664 3.4 49.0 1.0
CH2 A:TRP295 3.4 42.8 1.0
CZ3 A:TRP295 3.6 40.5 1.0
CD1 A:TYR228 3.6 36.5 1.0
CG1 A:ILE229 3.8 38.4 1.0
CA A:GLY230 3.8 33.4 1.0
C A:ILE229 4.0 37.4 1.0
CE1 A:TYR228 4.0 36.2 1.0
CA A:ILE229 4.0 36.9 1.0
CA A:TYR228 4.1 38.5 1.0
C A:TYR228 4.1 41.1 1.0
N A:VAL231 4.1 37.6 1.0
CG A:TYR228 4.3 35.2 1.0
CB A:PRO92 4.5 36.5 1.0
CB A:ILE229 4.5 38.0 1.0
C A:GLY230 4.5 38.8 1.0
O A:VAL231 4.6 40.7 1.0
CB A:TYR228 4.6 37.5 1.0
O A:HOH540 4.7 40.8 1.0
CZ2 A:TRP295 4.7 39.4 1.0
O A:HOH640 4.8 62.9 1.0
O A:ARG227 4.9 49.7 1.0
CE3 A:TRP295 4.9 40.6 1.0
CD1 A:ILE229 4.9 38.9 1.0

Reference:

A.R.Wagh, K.Bose. Structural Basis of Inactivation of Human Counterpart of Mouse Motor Neuron Degeneration 2 Mutant in Serine Protease HTRA2 Biosci. Rep. V. 38 2018.
ISSN: ISSN 1573-4935
PubMed: 30068699
DOI: 10.1042/BSR20181072
Page generated: Sat Dec 12 12:37:52 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy