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Chlorine in PDB 4pii: Crystal Structure of Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data

Enzymatic activity of Crystal Structure of Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data

All present enzymatic activity of Crystal Structure of Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data:
4.2.99.18;

Protein crystallography data

The structure of Crystal Structure of Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data, PDB code: 4pii was solved by T.Weinert, S.Waltersperger, V.Olieric, E.Panepucci, L.Chen, J.P.Rose, M.Wang, B.C.Wang, Southeast Collaboratory For Structural Genomics(Secsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.22 / 2.17
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 98.430, 98.430, 65.230, 90.00, 90.00, 120.00
R / Rfree (%) 17.3 / 23.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data (pdb code 4pii). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Crystal Structure of Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data, PDB code: 4pii:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 4pii

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Chlorine binding site 1 out of 9 in the Crystal Structure of Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data


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 Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:42.4
occ:0.99
 NE1 A:TRP64 3.3 25.3 1.0
CZ A:PHE148 3.6 24.7 1.0
CD1 A:TRP64 3.7 25.2 1.0
CE2 A:PHE148 3.8 32.9 1.0
CB A:SER53 3.9 24.1 1.0
CD1 A:LEU56 4.0 26.2 1.0
CA A:GLY60 4.2 30.4 1.0
O A:SER53 4.4 31.8 1.0
CD1 A:TRP63 4.4 22.2 1.0
CE1 A:PHE148 4.5 31.6 1.0
OG A:SER53 4.5 25.0 1.0
CE2 A:TRP64 4.6 21.3 1.0
O A:GLY60 4.7 31.0 1.0
C A:GLY60 4.8 32.3 1.0
CD2 A:PHE148 4.8 31.2 1.0

Chlorine binding site 2 out of 9 in 4pii

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Chlorine binding site 2 out of 9 in the Crystal Structure of Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data


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 Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:52.4
occ:0.70
 O A:HOH424 2.9 49.0 1.0
N A:GLY60 3.1 33.4 1.0
CA A:GLY60 3.8 30.4 1.0
C A:ARG59 4.1 31.6 1.0
OE1 A:GLU61 4.2 42.8 1.0
CA A:ARG59 4.2 35.6 1.0
CH2 A:TRP214 4.3 63.1 1.0
CZ3 A:TRP214 4.5 55.4 1.0
CB A:ARG59 4.8 35.8 1.0
O A:GLY58 4.9 33.0 1.0

Chlorine binding site 3 out of 9 in 4pii

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Chlorine binding site 3 out of 9 in the Crystal Structure of Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data


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 Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:39.7
occ:0.74
 ND2 A:ASN92 3.4 31.9 1.0
CD A:LYS91 3.6 40.7 1.0
CB A:ASP62 3.7 35.4 1.0
OD1 A:ASN92 3.8 32.4 1.0
O A:HOH440 3.9 33.0 1.0
CG A:ASP62 3.9 37.5 1.0
O A:HOH405 3.9 29.6 1.0
OD2 A:ASP62 4.0 44.5 1.0
CG A:ASN92 4.1 31.1 1.0
CG A:LYS91 4.4 42.6 1.0
OD1 A:ASP62 4.5 40.6 1.0
CA A:ASP62 5.0 29.0 1.0

Chlorine binding site 4 out of 9 in 4pii

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Chlorine binding site 4 out of 9 in the Crystal Structure of Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data


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 Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:48.0
occ:0.86
 CD A:LYS91 4.8 40.7 1.0

Chlorine binding site 5 out of 9 in 4pii

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Chlorine binding site 5 out of 9 in the Crystal Structure of Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data


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 Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:43.9
occ:0.93
 N A:GLU14 3.1 37.9 1.0
N A:ILE13 3.1 33.9 1.0
CA A:GLY12 3.5 37.6 1.0
C A:GLY12 3.5 37.6 1.0
CB A:GLU14 3.6 47.0 1.0
CA A:ILE13 3.9 36.1 1.0
CA A:GLU14 3.9 40.9 1.0
C A:ILE13 3.9 42.9 1.0
CB A:ILE13 4.1 36.3 1.0
O A:ILE11 4.3 38.9 1.0
O A:GLY12 4.5 38.7 1.0
N A:GLY12 4.7 37.9 1.0
N A:GLY15 4.8 32.8 1.0
CG A:GLU14 4.9 46.7 1.0
C A:GLU14 4.9 35.3 1.0
C A:ILE11 4.9 39.3 1.0

Chlorine binding site 6 out of 9 in 4pii

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Chlorine binding site 6 out of 9 in the Crystal Structure of Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data


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 Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:44.7
occ:0.65
 NE2 A:GLN31 3.5 30.1 1.0
CG2 A:ILE159 3.7 35.4 1.0
CG A:GLN31 4.0 28.6 1.0
CD A:GLN31 4.3 32.1 1.0
CG1 A:ILE159 4.3 28.0 1.0
CB A:ILE159 4.4 30.8 1.0
CA A:ILE159 4.4 37.8 1.0
O A:ILE159 4.5 38.3 1.0
CB A:GLN31 4.7 26.6 1.0
C A:ILE159 4.9 36.2 1.0

Chlorine binding site 7 out of 9 in 4pii

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Chlorine binding site 7 out of 9 in the Crystal Structure of Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:34.4
occ:0.69
 N A:ALA99 3.3 25.6 1.0
CA A:LEU96 3.3 30.2 1.0
O A:HOH430 3.4 30.5 1.0
C A:LEU96 3.5 32.0 1.0
CB A:GLU98 3.7 26.6 1.0
CB A:ALA99 3.7 27.2 1.0
O A:LEU96 3.7 28.3 1.0
N A:GLU98 3.7 33.1 1.0
CB A:LEU96 3.8 26.0 1.0
CD2 A:LEU96 3.8 32.6 1.0
N A:ILE97 4.0 28.5 1.0
CA A:GLU98 4.0 29.5 1.0
CA A:ALA99 4.1 30.1 1.0
C A:GLU98 4.1 25.2 1.0
CG A:LEU96 4.4 34.4 1.0
N A:LEU96 4.6 30.8 1.0
C A:ILE97 4.6 34.0 1.0
CG A:GLU98 4.7 32.1 1.0
CA A:ILE97 4.9 30.7 1.0

Chlorine binding site 8 out of 9 in 4pii

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Chlorine binding site 8 out of 9 in the Crystal Structure of Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:42.4
occ:0.65
 O A:HOH431 2.9 42.0 1.0
O A:HOH430 3.1 30.5 1.0
N A:ILE97 3.2 28.5 1.0
N A:LEU96 3.3 30.8 1.0
CB A:ILE97 3.7 32.9 1.0
CG1 A:ILE97 3.8 33.9 1.0
C A:ARG95 3.9 30.4 1.0
CA A:ARG95 3.9 27.5 1.0
CA A:LEU96 3.9 30.2 1.0
CD1 A:ILE97 4.0 36.9 1.0
CA A:ILE97 4.0 30.7 1.0
C A:LEU96 4.1 32.0 1.0
N A:ARG95 4.4 28.0 1.0
O A:ARG94 4.7 40.3 1.0
C A:ARG94 4.8 34.2 1.0
O A:ARG95 4.8 30.0 1.0
N A:GLU98 4.9 33.1 1.0
CG2 A:ILE97 5.0 28.6 1.0

Chlorine binding site 9 out of 9 in 4pii

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Chlorine binding site 9 out of 9 in the Crystal Structure of Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Hypothetical Protein PF0907 From Pyrococcus Furiosus Solved By Sulfur Sad Using Swiss Light Source Data within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl309

b:38.9
occ:0.49
 N A:LYS117 3.2 32.7 1.0
N A:LEU116 3.4 35.4 1.0
CB A:THR115 3.6 35.9 1.0
CB A:LEU116 3.6 31.4 1.0
CB A:LYS117 3.8 41.7 1.0
CA A:LEU116 3.8 32.9 1.0
OG1 A:THR115 3.9 37.1 1.0
C A:LEU116 4.0 35.6 1.0
CA A:LYS117 4.1 37.0 1.0
C A:THR115 4.2 32.2 1.0
CG A:LYS117 4.4 43.5 1.0
CA A:THR115 4.4 33.8 1.0
CG2 A:THR115 4.5 33.1 1.0
CG A:LEU116 4.8 38.9 1.0
O A:HOH411 4.9 37.5 1.0

Reference:

T.Weinert, S.Waltersperger, V.Olieric, E.Panepucci, L.Chen, J.P.Rose, B.C.Wang, D.Li, M.Caffrey, D.T.Nair, F.Basilico, V.Cecatiello, S.Pasqualato, A.Boland, O.Weichenrieder, C.Dekker, M.Wang. A Fast Macromolecular Crystallographic Data Collection Strategy For Native Sad Phasing To Be Published.
Page generated: Fri Jul 26 00:00:02 2024

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