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Chlorine in PDB 3loq: The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304

Protein crystallography data

The structure of The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304, PDB code: 3loq was solved by K.Tan, A.Weger, R.Jedrzejczak, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.24 / 2.32
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 72.308, 89.169, 137.784, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 22.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304 (pdb code 3loq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304, PDB code: 3loq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 3loq

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Chlorine binding site 1 out of 8 in the The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl272

b:40.8
occ:1.00
 N A:HIS138 3.2 41.9 1.0
N A:LYS137 3.2 30.6 1.0
C A:VAL259 3.3 40.6 1.0
O A:HOH296 3.3 40.8 1.0
N A:PRO260 3.3 33.8 1.0
O A:HOH314 3.4 47.0 1.0
O A:HIS138 3.5 53.0 1.0
O A:VAL259 3.6 33.8 1.0
CD A:PRO260 3.6 28.0 1.0
CG A:PRO260 3.7 30.0 1.0
CA A:VAL259 3.7 38.5 1.0
CA A:PRO260 3.7 30.5 1.0
CA A:LYS137 4.0 44.8 1.0
CA A:HIS138 4.0 47.7 1.0
O A:PRO258 4.0 46.8 1.0
C A:LYS137 4.0 47.6 1.0
C A:HIS138 4.1 53.1 1.0
N A:VAL259 4.1 35.1 1.0
CA A:PHE136 4.1 37.4 1.0
C A:PHE136 4.1 37.6 1.0
CB A:HIS138 4.1 45.4 1.0
C A:PRO258 4.2 43.6 1.0
CB A:PRO260 4.2 31.1 1.0
CB A:LYS137 4.3 40.1 1.0
O A:ILE135 4.6 38.6 1.0
OH A:TYR17 4.8 39.6 1.0
CG A:HIS138 4.8 53.0 1.0
CD2 A:HIS138 4.9 51.4 1.0
CB A:PHE136 4.9 38.1 1.0
NZ A:LYS137 4.9 42.3 1.0
CG A:LYS137 5.0 45.8 1.0
O A:SER257 5.0 38.5 1.0

Chlorine binding site 2 out of 8 in 3loq

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Chlorine binding site 2 out of 8 in the The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl273

b:36.7
occ:1.00
 OG A:SER107 2.9 33.0 1.0
O A:HOH304 3.1 37.2 1.0
NZ A:LYS115 3.3 37.2 1.0
CE A:LYS115 3.7 33.9 1.0
CA A:ARG255 3.7 33.1 1.0
CA A:GLY109 3.7 32.8 1.0
CG2 A:ILE254 3.9 30.8 1.0
CB A:SER107 3.9 33.5 1.0
CB A:ARG255 4.0 39.9 1.0
O A:HOH285 4.0 37.0 1.0
N A:GLY109 4.1 32.8 1.0
N A:ARG255 4.1 32.1 1.0
CE A:LYS137 4.1 43.8 1.0
CG A:ARG255 4.2 42.4 1.0
C A:ILE254 4.4 38.9 1.0
C A:GLY109 4.4 38.3 1.0
O A:ILE254 4.4 41.6 1.0
CD A:LYS137 4.5 42.4 1.0
N A:ALA110 4.7 31.5 1.0
CB A:ILE254 4.8 33.9 1.0
O A:ALA110 4.8 34.9 1.0
OG A:SER122 4.9 34.9 1.0
C A:ARG255 4.9 38.4 1.0

Chlorine binding site 3 out of 8 in 3loq

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Chlorine binding site 3 out of 8 in the The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl274

b:65.8
occ:1.00
 ND1 A:HIS216 2.9 56.9 1.0
N A:HIS216 3.1 45.5 1.0
OG1 A:THR249 3.2 45.9 1.0
CB A:HIS216 3.5 49.0 1.0
CG A:HIS216 3.6 55.4 1.0
CB A:PRO215 3.7 44.4 1.0
CG2 A:THR214 3.8 49.8 1.0
CA A:THR249 3.8 38.1 1.0
CA A:HIS216 3.8 46.3 1.0
CD A:PRO215 3.9 50.8 1.0
CB A:THR249 3.9 38.2 1.0
N A:PRO215 3.9 50.2 1.0
C A:PRO215 4.0 45.5 1.0
CE1 A:HIS216 4.0 52.2 1.0
CG2 A:THR249 4.1 36.4 1.0
CA A:PRO215 4.1 46.4 1.0
CG A:PRO215 4.1 49.4 1.0
N A:THR249 4.5 35.4 1.0
C A:THR214 4.7 50.7 1.0
CD2 A:HIS216 4.8 57.7 1.0
O A:SER248 4.9 49.2 1.0
C A:THR249 4.9 36.8 1.0
O A:THR249 4.9 33.9 1.0

Chlorine binding site 4 out of 8 in 3loq

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Chlorine binding site 4 out of 8 in the The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl275

b:52.9
occ:1.00
 N A:VAL182 3.3 48.4 1.0
O A:ACT276 3.4 50.3 1.0
ND1 A:HIS181 3.7 52.4 1.0
O A:TYR153 3.7 40.0 1.0
CA A:HIS181 3.9 45.6 1.0
C A:TYR153 4.0 42.8 1.0
CG2 A:VAL182 4.0 42.0 1.0
CB A:VAL182 4.1 45.8 1.0
C A:HIS181 4.1 50.8 1.0
CB A:ASP154 4.1 33.0 1.0
O A:VAL182 4.1 55.0 1.0
N A:TYR153 4.2 40.4 1.0
O A:ILE180 4.2 37.4 1.0
CA A:VAL182 4.2 50.6 1.0
C A:ACT276 4.3 57.2 1.0
N A:ASP154 4.4 43.1 1.0
CE1 A:HIS181 4.5 50.8 1.0
CH3 A:ACT276 4.5 40.5 1.0
CA A:ASP154 4.5 40.1 1.0
CG A:HIS181 4.5 48.2 1.0
C A:VAL182 4.6 54.9 1.0
CB A:HIS181 4.7 46.5 1.0
CA A:TYR153 4.7 38.3 1.0
C A:ALA152 4.7 37.0 1.0
N A:HIS181 4.9 39.1 1.0
C A:ILE180 4.9 39.7 1.0
CB A:ALA152 5.0 27.5 1.0

Chlorine binding site 5 out of 8 in 3loq

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Chlorine binding site 5 out of 8 in the The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl273

b:40.7
occ:1.00
 N B:HIS138 3.1 43.8 1.0
N B:PRO260 3.2 38.8 1.0
O B:HOH296 3.2 46.6 1.0
C B:VAL259 3.2 39.6 1.0
O B:HOH289 3.2 44.5 1.0
N B:LYS137 3.2 39.5 1.0
CD B:PRO260 3.5 37.7 1.0
O B:HIS138 3.6 48.2 1.0
O B:VAL259 3.6 37.3 1.0
CA B:VAL259 3.7 37.4 1.0
CA B:PRO260 3.7 34.6 1.0
CG B:PRO260 3.9 38.2 1.0
O B:PRO258 3.9 41.9 1.0
CA B:LYS137 3.9 42.7 1.0
CA B:HIS138 4.0 47.6 1.0
CB B:LYS137 4.0 39.0 1.0
C B:LYS137 4.0 44.7 1.0
N B:VAL259 4.1 38.5 1.0
CB B:HIS138 4.1 42.6 1.0
C B:PRO258 4.1 39.3 1.0
C B:HIS138 4.2 52.4 1.0
C B:PHE136 4.2 37.2 1.0
CA B:PHE136 4.3 33.0 1.0
ND1 B:HIS138 4.3 56.0 1.0
CB B:PRO260 4.4 40.2 1.0
O B:ILE135 4.6 39.1 1.0
CG B:HIS138 4.7 53.4 1.0
CG B:LYS137 4.7 38.8 1.0
NZ B:LYS137 4.8 34.5 1.0
O B:SER257 4.8 42.5 1.0
OH B:TYR17 4.9 40.2 1.0

Chlorine binding site 6 out of 8 in 3loq

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Chlorine binding site 6 out of 8 in the The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl274

b:37.7
occ:1.00
 CG B:ARG108 3.1 47.1 1.0
N B:GLY119 3.1 43.1 1.0
O3P B:AMP271 3.1 75.3 1.0
OG B:SER122 3.2 36.7 1.0
N B:ARG108 3.4 42.8 1.0
CD B:ARG108 3.6 48.0 1.0
CB B:SER107 3.6 42.3 1.0
CB B:SER122 3.7 38.5 1.0
O1P B:AMP271 3.9 53.8 1.0
CA B:SER107 3.9 41.4 1.0
CA B:LEU118 3.9 41.2 1.0
CA B:GLY119 4.0 37.5 1.0
C B:LEU118 4.0 43.4 1.0
P B:AMP271 4.0 64.5 1.0
C5' B:AMP271 4.1 44.3 1.0
OG B:SER107 4.1 48.8 1.0
NE B:ARG108 4.1 54.0 1.0
C B:SER107 4.2 44.7 1.0
CD1 B:LEU118 4.2 47.3 1.0
CB B:ARG108 4.2 46.8 1.0
CA B:ARG108 4.4 48.5 1.0
CG B:LEU118 4.5 47.8 1.0
O5' B:AMP271 4.6 50.8 1.0
CB B:LEU118 4.6 39.6 1.0
CD1 B:ILE116 4.6 67.2 1.0
O B:LEU117 4.7 50.6 1.0
CZ B:ARG108 4.7 55.3 1.0
NH1 B:ARG108 4.8 52.7 1.0
C B:GLY119 4.8 44.1 1.0
O B:GLY119 4.9 41.0 1.0
N B:SER122 5.0 47.7 1.0
CA B:SER122 5.0 43.7 1.0

Chlorine binding site 7 out of 8 in 3loq

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Chlorine binding site 7 out of 8 in the The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl275

b:71.5
occ:1.00
 N B:HIS216 3.1 39.6 1.0
OG1 B:THR249 3.1 46.0 1.0
ND1 B:HIS216 3.1 53.3 1.0
CA B:THR249 3.6 38.2 1.0
CB B:HIS216 3.7 49.1 1.0
CB B:PRO215 3.7 45.6 1.0
CD B:PRO215 3.7 48.8 1.0
CB B:THR249 3.8 42.0 1.0
CG2 B:THR214 3.8 40.8 1.0
CG B:HIS216 3.8 51.6 1.0
N B:PRO215 3.8 48.4 1.0
CA B:HIS216 4.0 43.0 1.0
C B:PRO215 4.0 41.4 1.0
N B:THR249 4.0 40.6 1.0
CA B:PRO215 4.0 44.2 1.0
CG B:PRO215 4.1 47.0 1.0
CG2 B:THR249 4.1 41.7 1.0
CE1 B:HIS216 4.2 49.2 1.0
C B:THR214 4.5 51.7 1.0
C B:SER248 4.6 39.8 1.0
O B:GLY247 4.7 46.9 1.0
C B:THR249 4.9 36.4 1.0
O B:SER248 5.0 41.6 1.0

Chlorine binding site 8 out of 8 in 3loq

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Chlorine binding site 8 out of 8 in the The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl276

b:58.9
occ:1.00
 NZ B:LYS115 3.0 55.2 1.0
NE B:ARG256 3.2 55.8 1.0
NH2 B:ARG256 3.2 63.2 1.0
OG B:SER252 3.5 55.5 1.0
NE2 B:HIS216 3.6 48.5 1.0
CZ B:ARG256 3.6 59.2 1.0
CB B:SER252 3.7 46.1 1.0
CE B:LYS115 3.8 45.8 1.0
CE1 B:HIS216 4.0 49.2 1.0
O B:HOH279 4.0 37.4 1.0
CD2 B:HIS216 4.1 44.9 1.0
CD B:LYS115 4.3 51.7 1.0
CD B:ARG256 4.3 54.7 1.0
CA B:SER252 4.6 42.7 1.0
ND1 B:HIS216 4.6 53.3 1.0
CG B:HIS216 4.7 51.6 1.0
CG B:ARG256 4.9 51.7 1.0
NH1 B:ARG256 4.9 49.9 1.0

Reference:

K.Tan, A.Weger, R.Jedrzejczak, A.Joachimiak. The Crystal Structure of A Universal Stress Protein From Archaeoglobus Fulgidus Dsm 4304 To Be Published.
Page generated: Sat Jul 20 23:34:46 2024

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