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Chlorine in PDB 3on7: Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution, PDB code: 3on7 was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.59 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.189, 95.678, 184.490, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 23.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution (pdb code 3on7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution, PDB code: 3on7:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 3on7

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Chlorine binding site 1 out of 7 in the Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution


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 A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl281

b:23.4
occ:1.00
 NH1 D:ARG272 3.1 21.4 1.0
NH1 A:ARG272 3.2 22.9 1.0
O D:HOH941 3.5 46.9 1.0
CD D:ARG272 3.8 20.5 1.0
CD A:ARG272 3.9 20.9 1.0
CD2 A:LEU276 4.0 25.6 1.0
CD2 D:LEU276 4.1 26.2 1.0
CD1 A:LEU276 4.2 23.8 1.0
CZ D:ARG272 4.2 24.1 1.0
CZ A:ARG272 4.2 23.8 1.0
CG D:ARG272 4.3 17.9 1.0
CG A:ARG272 4.4 17.8 1.0
NE D:ARG272 4.4 22.1 1.0
NE A:ARG272 4.5 18.3 1.0
CG A:LEU276 4.5 25.5 1.0
CD1 D:LEU276 4.6 25.6 1.0
O A:HOH567 4.7 30.5 1.0
CG D:LEU276 4.8 22.8 1.0
O A:HOH566 4.8 23.2 1.0

Chlorine binding site 2 out of 7 in 3on7

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Chlorine binding site 2 out of 7 in the Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution


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 A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl283

b:24.3
occ:1.00
 OG A:SER256 2.9 20.9 1.0
ND2 B:ASN61 3.4 11.9 1.0
N A:SER256 3.4 20.5 1.0
CB A:SER256 3.4 21.3 1.0
O1 A:GOL287 3.6 39.8 1.0
O B:HOH758 3.6 21.3 1.0
CD A:PRO255 3.7 17.4 1.0
CB B:ARG96 3.9 20.0 1.0
N A:PRO255 3.9 18.4 1.0
CB A:HIS254 3.9 17.9 1.0
CD B:ARG96 3.9 24.2 1.0
CG B:ARG96 4.0 25.5 1.0
CA A:SER256 4.0 20.4 1.0
O A:HOH703 4.0 24.7 1.0
CG B:ASN61 4.2 18.1 1.0
OD1 B:ASN61 4.2 14.3 1.0
CB A:PRO255 4.3 19.6 1.0
C A:HIS254 4.3 17.6 1.0
C A:PRO255 4.4 20.6 1.0
CG A:PRO255 4.4 18.5 1.0
OD2 B:ASP66 4.4 21.3 1.0
CA A:PRO255 4.4 19.2 1.0
CA A:HIS254 4.5 18.0 1.0
CA B:ARG96 4.6 20.2 1.0
O A:HOH668 4.7 13.6 0.5
O A:HOH435 4.8 22.9 1.0
NE B:ARG96 4.8 20.9 1.0
N B:ARG96 4.8 21.5 1.0
CG A:HIS254 4.8 22.1 1.0
C1 A:GOL287 4.9 36.0 1.0
O B:HOH493 4.9 22.7 1.0

Chlorine binding site 3 out of 7 in 3on7

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Chlorine binding site 3 out of 7 in the Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution


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 A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl280

b:20.8
occ:1.00
 O B:HOH903 2.9 31.0 1.0
NH1 B:ARG272 3.1 20.6 1.0
NH1 C:ARG272 3.2 20.1 1.0
CD B:ARG272 3.8 20.1 1.0
CD C:ARG272 3.8 20.6 1.0
CZ B:ARG272 4.1 21.2 1.0
CD2 C:LEU276 4.1 21.4 1.0
CD2 B:LEU276 4.2 23.8 1.0
CZ C:ARG272 4.2 21.5 1.0
CD1 B:LEU276 4.2 25.5 1.0
CG B:ARG272 4.3 16.6 1.0
CG C:ARG272 4.3 16.9 1.0
NE B:ARG272 4.3 17.1 1.0
CD1 C:LEU276 4.4 25.2 1.0
NE C:ARG272 4.4 19.5 1.0
O B:HOH677 4.5 30.2 1.0
O C:HOH663 4.6 27.2 1.0
CG B:LEU276 4.6 22.1 1.0
CG C:LEU276 4.6 23.5 1.0

Chlorine binding site 4 out of 7 in 3on7

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Chlorine binding site 4 out of 7 in the Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution


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 A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl282

b:48.6
occ:1.00
 NH2 B:ARG16 2.9 36.4 1.0
NH1 B:ARG16 3.3 34.4 1.0
N B:ASP7 3.4 25.0 1.0
CZ B:ARG16 3.6 35.5 1.0
CB B:ASP7 3.8 27.2 1.0
O B:THR5 4.1 28.2 1.0
CA B:ILE6 4.1 24.8 1.0
CA B:ASP7 4.2 25.6 1.0
C B:ILE6 4.2 23.6 1.0
CG2 B:ILE6 4.7 22.5 1.0
CB B:ALA10 4.8 32.8 1.0
O B:ASP7 4.8 26.9 1.0
NE B:ARG16 4.9 32.5 1.0
CB B:ILE6 5.0 22.9 1.0
C B:THR5 5.0 27.1 1.0

Chlorine binding site 5 out of 7 in 3on7

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Chlorine binding site 5 out of 7 in the Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution


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 A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl284

b:26.1
occ:1.00
 OG B:SER256 2.9 27.7 1.0
O A:HOH748 3.2 22.5 1.0
N B:SER256 3.4 20.4 1.0
ND2 A:ASN61 3.5 14.7 1.0
CB B:SER256 3.5 22.6 1.0
CD B:PRO255 3.8 19.0 1.0
N B:PRO255 3.8 17.6 1.0
CB B:HIS254 3.8 20.3 1.0
CB A:ARG96 3.9 24.5 1.0
CG A:ARG96 4.0 28.7 1.0
CB B:PRO255 4.0 20.6 1.0
CD A:ARG96 4.1 29.4 1.0
CA B:SER256 4.1 22.8 1.0
CG B:PRO255 4.2 21.9 1.0
CG A:ASN61 4.3 21.7 1.0
C B:HIS254 4.3 18.9 1.0
OD1 A:ASN61 4.3 19.4 1.0
CA B:PRO255 4.3 19.1 1.0
C B:PRO255 4.3 19.6 1.0
CA B:HIS254 4.5 19.8 1.0
OD2 A:ASP66 4.6 21.4 1.0
O A:HOH728 4.7 34.2 1.0
CA A:ARG96 4.8 22.3 1.0
CG B:HIS254 4.8 23.2 1.0
O A:HOH420 4.9 23.6 1.0
N A:ARG96 4.9 22.0 1.0
O B:HOH308 4.9 18.6 1.0
NE A:ARG96 5.0 28.5 1.0

Chlorine binding site 6 out of 7 in 3on7

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Chlorine binding site 6 out of 7 in the Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution


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 A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl286

b:23.1
occ:1.00
 OG C:SER256 3.1 20.4 1.0
O D:HOH847 3.4 20.5 1.0
ND2 D:ASN61 3.4 12.6 1.0
N C:SER256 3.5 17.9 1.0
CB C:SER256 3.6 19.0 1.0
CD C:PRO255 3.8 17.0 1.0
CB D:ARG96 3.8 18.7 1.0
N C:PRO255 3.9 16.9 1.0
CD D:ARG96 3.9 22.9 1.0
CB C:HIS254 3.9 16.3 1.0
O D:HOH560 4.0 28.4 1.0
CG D:ARG96 4.1 21.9 1.0
CA C:SER256 4.1 18.1 1.0
CG D:ASN61 4.2 13.1 1.0
OD1 D:ASN61 4.2 16.3 1.0
CB C:PRO255 4.3 17.1 1.0
C C:HIS254 4.4 17.2 1.0
CG C:PRO255 4.4 18.2 1.0
C C:PRO255 4.4 17.4 1.0
CA C:PRO255 4.4 16.7 1.0
OD2 D:ASP66 4.5 19.9 1.0
CA C:HIS254 4.5 16.5 1.0
CA D:ARG96 4.6 17.2 1.0
N D:ARG96 4.7 17.3 1.0
NE D:ARG96 4.8 19.2 1.0
CG C:HIS254 4.8 20.0 1.0
O D:HOH309 4.9 21.2 1.0
O C:HOH292 4.9 14.1 1.0

Chlorine binding site 7 out of 7 in 3on7

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Chlorine binding site 7 out of 7 in the Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution


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 A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl285

b:24.1
occ:1.00
 OG D:SER256 3.0 22.2 1.0
ND2 C:ASN61 3.2 11.4 1.0
N D:SER256 3.4 19.2 1.0
CB D:SER256 3.5 21.5 1.0
O C:HOH775 3.6 20.9 1.0
CB D:HIS254 3.8 18.8 1.0
CD D:PRO255 3.8 17.3 1.0
N D:PRO255 3.9 17.1 1.0
CB C:ARG96 3.9 19.4 1.0
CD C:ARG96 3.9 25.4 1.0
CG C:ASN61 4.0 15.6 1.0
CG C:ARG96 4.0 27.1 1.0
OD1 C:ASN61 4.1 14.9 1.0
CA D:SER256 4.1 21.8 1.0
O C:HOH589 4.3 25.5 1.0
C D:HIS254 4.3 16.7 1.0
C D:PRO255 4.4 19.6 1.0
CG D:PRO255 4.4 20.6 1.0
CB D:PRO255 4.4 17.2 1.0
CA D:PRO255 4.5 17.8 1.0
CA D:HIS254 4.5 17.9 1.0
OD2 C:ASP66 4.5 19.1 1.0
O C:HOH499 4.6 35.1 1.0
CA C:ARG96 4.7 19.8 1.0
CG D:HIS254 4.8 21.4 1.0
N C:ARG96 4.8 18.6 1.0
O C:HOH389 4.8 29.3 1.0
NE C:ARG96 4.9 25.2 1.0
O D:HOH300 4.9 16.4 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sun Jul 21 01:48:39 2024

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