Chlorine in PDB 8chw: Crystal Structure of Human Pura (Fragment PRO216-LYS280, Pur Repeat III)

Protein crystallography data

The structure of Crystal Structure of Human Pura (Fragment PRO216-LYS280, Pur Repeat III), PDB code: 8chw was solved by R.Janowski, D.Niessing, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.85 / 1.70
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 56.76, 75.64, 31.39, 90, 90, 90
R / Rfree (%) 17.6 / 22.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Pura (Fragment PRO216-LYS280, Pur Repeat III) (pdb code 8chw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Human Pura (Fragment PRO216-LYS280, Pur Repeat III), PDB code: 8chw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 8chw

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Chlorine binding site 1 out of 6 in the Crystal Structure of Human Pura (Fragment PRO216-LYS280, Pur Repeat III)


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 Human Pura (Fragment PRO216-LYS280, Pur Repeat III) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:42.6
occ:1.00
 OD1 A:ASP234 2.8 25.9 1.0
O A:THR222 3.0 23.6 1.0
O A:PHE233 3.0 21.6 1.0
CG A:ASP234 3.4 26.3 1.0
N A:THR222 3.4 25.5 1.0
OD2 A:ASP234 3.5 28.4 1.0
CD1 A:PHE232 3.5 23.9 1.0
C A:GLY221 3.6 24.4 1.0
CB A:PHE232 3.7 20.9 1.0
CA A:GLY221 3.7 25.1 1.0
N A:PHE233 3.8 20.1 1.0
C A:THR222 3.8 24.4 1.0
C A:PHE233 3.8 21.0 1.0
C2 A:EDO301 4.0 32.0 1.0
CG A:PHE232 4.1 22.4 1.0
CA A:PHE232 4.1 20.2 1.0
CA A:THR222 4.1 24.1 1.0
C A:PHE232 4.2 21.4 1.0
O2 A:EDO301 4.3 32.2 1.0
O A:GLY221 4.3 24.0 1.0
CA A:PHE233 4.5 20.4 1.0
N A:ASP234 4.5 20.9 1.0
CE1 A:PHE232 4.6 23.6 1.0
CB A:ASP234 4.6 23.6 1.0
CA A:ASP234 4.7 20.7 1.0
N A:SER223 4.8 23.1 1.0
O A:HOH416 4.9 24.7 1.0

Chlorine binding site 2 out of 6 in 8chw

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Chlorine binding site 2 out of 6 in the Crystal Structure of Human Pura (Fragment PRO216-LYS280, Pur Repeat III)


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 Human Pura (Fragment PRO216-LYS280, Pur Repeat III) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:66.6
occ:1.00
 O B:HOH438 3.1 46.7 1.0
N B:GLU217 3.1 29.8 1.0
O B:GLU217 3.4 30.2 1.0
CA B:ALA216 3.5 28.7 1.0
C B:ALA216 3.8 28.7 1.0
CB B:ALA216 4.0 27.6 1.0
CA B:GLU217 4.1 29.1 1.0
C B:GLU217 4.2 29.1 1.0
O B:HOH412 4.3 51.3 1.0
O B:MET215 4.5 31.7 1.0
CB B:GLU217 4.6 28.9 1.0
O B:HOH434 4.6 55.2 1.0
N B:ALA216 4.8 30.4 1.0
O B:HOH425 4.9 45.5 1.0

Chlorine binding site 3 out of 6 in 8chw

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Chlorine binding site 3 out of 6 in the Crystal Structure of Human Pura (Fragment PRO216-LYS280, Pur Repeat III)


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 Human Pura (Fragment PRO216-LYS280, Pur Repeat III) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:69.2
occ:1.00
 ND2 B:ASN238 3.6 47.5 1.0
C1 B:EDO301 3.8 49.5 1.0
CZ B:PHE243 4.0 30.8 1.0
CE2 B:PHE243 4.0 31.1 1.0
O1 B:EDO301 4.1 55.0 1.0
CE1 B:PHE243 4.3 31.8 1.0
CD2 B:PHE243 4.4 27.5 1.0
OG1 B:THR258 4.4 31.1 1.0
NH2 B:ARG245 4.5 45.2 1.0
CG2 B:THR258 4.6 26.0 1.0
CD1 B:PHE243 4.7 31.5 1.0
CB B:THR258 4.7 25.3 1.0
CG B:PHE243 4.8 27.5 1.0
CG B:ASN238 4.9 46.5 1.0

Chlorine binding site 4 out of 6 in 8chw

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Chlorine binding site 4 out of 6 in the Crystal Structure of Human Pura (Fragment PRO216-LYS280, Pur Repeat III)


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 Human Pura (Fragment PRO216-LYS280, Pur Repeat III) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:42.6
occ:1.00
 OD1 B:ASP234 2.9 25.4 1.0
O B:THR222 3.1 23.8 1.0
O B:PHE233 3.1 26.2 1.0
CG B:ASP234 3.5 23.4 1.0
N B:THR222 3.5 23.7 1.0
OD2 B:ASP234 3.6 23.9 1.0
CD1 B:PHE232 3.6 28.4 1.0
C B:GLY221 3.6 23.1 1.0
CA B:GLY221 3.7 22.7 1.0
CB B:PHE232 3.7 26.2 1.0
C B:PHE233 3.8 23.4 1.0
N B:PHE233 3.9 22.5 1.0
C B:THR222 3.9 24.4 1.0
CA B:PHE232 4.1 24.1 1.0
CG B:PHE232 4.1 26.0 1.0
CA B:THR222 4.2 22.6 1.0
C B:PHE232 4.3 26.7 1.0
O B:GLY221 4.3 22.3 1.0
CA B:PHE233 4.5 22.0 1.0
N B:ASP234 4.5 22.9 1.0
CE1 B:PHE232 4.7 27.0 1.0
CB B:ASP234 4.7 21.8 1.0
CA B:ASP234 4.7 22.6 1.0
N B:SER223 4.8 23.7 1.0
O B:HOH418 4.9 25.4 1.0
N B:GLY221 4.9 22.1 1.0

Chlorine binding site 5 out of 6 in 8chw

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Chlorine binding site 5 out of 6 in the Crystal Structure of Human Pura (Fragment PRO216-LYS280, Pur Repeat III)


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 Human Pura (Fragment PRO216-LYS280, Pur Repeat III) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl306

b:66.5
occ:1.00
 NZ B:LYS229 2.8 30.4 1.0
NZ B:LYS250 3.0 57.8 0.5
CE B:LYS250 3.3 60.4 0.5
CE B:LYS229 3.5 29.7 1.0
O B:HOH407 3.6 30.5 1.0
OG1 A:THR258 3.7 25.0 1.0
CD B:LYS250 3.7 57.8 1.0
CD B:LYS229 4.2 33.0 1.0
O1 A:EDO302 4.3 61.6 1.0
OE1 B:GLU248 4.5 29.3 1.0
OE2 B:GLU248 4.5 25.3 1.0
CE2 B:TYR253 4.6 82.3 1.0
O2 A:EDO303 4.6 29.6 1.0
CD B:GLU248 4.7 27.3 1.0
C1 A:EDO303 4.7 30.4 1.0
CG B:LYS250 4.8 54.5 1.0
O A:HOH461 4.8 51.5 1.0

Chlorine binding site 6 out of 6 in 8chw

Go back to Chlorine Binding Sites List in 8chw
Chlorine binding site 6 out of 6 in the Crystal Structure of Human Pura (Fragment PRO216-LYS280, Pur Repeat III)


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 Human Pura (Fragment PRO216-LYS280, Pur Repeat III) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl307

b:67.7
occ:1.00
 O B:HOH422 2.8 54.4 1.0
NE B:ARG245 3.7 35.9 1.0
O B:HOH430 3.8 46.0 1.0
O B:ASP234 4.0 25.1 1.0
CB B:ASP234 4.1 21.8 1.0
CE1 B:PHE243 4.1 31.8 1.0
CB B:ARG245 4.2 27.0 1.0
O B:VAL235 4.4 30.1 1.0
CD B:ARG245 4.4 29.6 1.0
CA B:GLY236 4.4 29.3 1.0
N B:GLY236 4.5 27.6 1.0
C B:VAL235 4.5 26.5 1.0
C B:ASP234 4.5 25.0 1.0
NH2 B:ARG245 4.6 45.2 1.0
CZ B:PHE243 4.6 30.8 1.0
CZ B:ARG245 4.6 41.6 1.0
O B:HOH439 4.9 47.5 1.0
CG B:ARG245 5.0 28.6 1.0
CA B:ASP234 5.0 22.6 1.0

Reference:

R.Janowski, D.Niessing. Pura Syndrome-Causing Mutations Impair Pur-Domain Integrity and Affect P-Body Association To Be Published.
Page generated: Tue Jul 30 07:57:43 2024

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