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Chlorine in PDB 3gxg: Crystal Structure of Putative Phosphatase (DUF442) (YP_001181608.1) From Shewanella Putrefaciens Cn-32 at 1.60 A Resolution

Protein crystallography data

The structure of Crystal Structure of Putative Phosphatase (DUF442) (YP_001181608.1) From Shewanella Putrefaciens Cn-32 at 1.60 A Resolution, PDB code: 3gxg 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) 42.64 / 1.60
Space group P 4
Cell size a, b, c (Å), α, β, γ (°) 111.223, 111.223, 66.380, 90.00, 90.00, 90.00
R / Rfree (%) 15.2 / 18

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Putative Phosphatase (DUF442) (YP_001181608.1) From Shewanella Putrefaciens Cn-32 at 1.60 A Resolution (pdb code 3gxg). 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 Putative Phosphatase (DUF442) (YP_001181608.1) From Shewanella Putrefaciens Cn-32 at 1.60 A Resolution, PDB code: 3gxg:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3gxg

Go back to Chlorine Binding Sites List in 3gxg
Chlorine binding site 1 out of 6 in the Crystal Structure of Putative Phosphatase (DUF442) (YP_001181608.1) From Shewanella Putrefaciens Cn-32 at 1.60 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 Putative Phosphatase (DUF442) (YP_001181608.1) From Shewanella Putrefaciens Cn-32 at 1.60 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl210

b:19.3
occ:1.00
 O B:HOH453 2.9 21.3 1.0
O A:HOH398 3.1 13.4 1.0
O B:HOH414 3.2 14.7 1.0
NE2 A:GLN53 3.3 12.8 1.0
O A:HOH416 3.3 16.6 1.0
CA A:GLY32 3.8 12.0 1.0
CG A:GLN53 3.9 15.6 1.0
CD1 A:LEU56 4.0 15.3 1.0
CD A:GLN53 4.1 15.0 1.0
C A:GLY32 4.4 11.2 1.0
N A:GLY32 4.5 10.8 1.0
CD1 B:LEU56 4.6 13.1 1.0
O A:HOH410 4.7 16.1 1.0
CA B:GLY32 4.7 10.8 1.0
O B:HOH553 4.9 25.5 1.0
O A:GLY32 4.9 13.0 1.0
N A:ILE33 4.9 9.5 1.0
N B:GLY32 4.9 12.1 1.0

Chlorine binding site 2 out of 6 in 3gxg

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Chlorine binding site 2 out of 6 in the Crystal Structure of Putative Phosphatase (DUF442) (YP_001181608.1) From Shewanella Putrefaciens Cn-32 at 1.60 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 Putative Phosphatase (DUF442) (YP_001181608.1) From Shewanella Putrefaciens Cn-32 at 1.60 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl211

b:30.1
occ:1.00
 O A:HOH943 2.7 20.6 0.5
N A:ASN147 3.2 11.5 1.0
O A:HOH404 3.3 14.7 1.0
O A:HOH1095 3.4 48.3 1.0
OG1 A:THR151 3.5 12.1 1.0
CB A:ASN147 3.8 11.7 1.0
CA A:PRO146 3.9 9.9 1.0
CA A:ASN147 4.0 11.0 1.0
O A:ASN147 4.0 11.8 1.0
C A:PRO146 4.0 11.3 1.0
O A:HOH802 4.1 35.3 1.0
OE1 A:GLN150 4.2 21.2 0.5
CB A:PRO146 4.4 9.4 1.0
C A:ASN147 4.5 9.4 1.0
CB A:GLN150 4.6 12.8 0.5
CB A:GLN150 4.8 14.0 0.5
N A:THR151 4.8 10.0 1.0
CB A:THR151 4.9 9.8 1.0
O A:HOH1088 5.0 46.2 1.0

Chlorine binding site 3 out of 6 in 3gxg

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Chlorine binding site 3 out of 6 in the Crystal Structure of Putative Phosphatase (DUF442) (YP_001181608.1) From Shewanella Putrefaciens Cn-32 at 1.60 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 Putative Phosphatase (DUF442) (YP_001181608.1) From Shewanella Putrefaciens Cn-32 at 1.60 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl214

b:27.0
occ:1.00
 O A:HOH518 3.0 23.9 1.0
NZ A:LYS164 3.1 8.0 1.0
O A:HOH390 3.4 12.6 1.0
CE A:LYS164 3.6 10.5 1.0
CG A:GLN99 3.8 12.6 1.0
CD A:LYS164 3.9 11.2 1.0
CB A:GLN99 3.9 11.2 1.0
CA A:GLN99 4.0 9.4 1.0
O A:HOH382 4.2 9.9 1.0
NE2 A:GLN99 4.3 23.2 1.0
CD A:GLN99 4.4 18.8 1.0
O A:GLN99 4.5 10.2 1.0
C A:GLN99 4.8 9.0 1.0
CG A:LYS164 4.9 11.2 1.0

Chlorine binding site 4 out of 6 in 3gxg

Go back to Chlorine Binding Sites List in 3gxg
Chlorine binding site 4 out of 6 in the Crystal Structure of Putative Phosphatase (DUF442) (YP_001181608.1) From Shewanella Putrefaciens Cn-32 at 1.60 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 Putative Phosphatase (DUF442) (YP_001181608.1) From Shewanella Putrefaciens Cn-32 at 1.60 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl212

b:39.2
occ:1.00
 N B:GLU51 3.3 14.0 1.0
O B:HOH426 3.3 15.9 1.0
CG B:GLU51 3.5 30.1 1.0
CB B:ASN50 3.6 12.8 1.0
CB B:GLU51 3.7 15.0 1.0
CE1 B:HIS77 3.8 15.6 1.0
CA B:ASN50 3.9 10.6 1.0
O B:HOH715 3.9 32.2 1.0
CA B:GLU51 4.1 15.2 1.0
C B:ASN50 4.1 9.7 1.0
ND1 B:HIS77 4.3 17.3 1.0
CD B:GLU51 4.3 41.1 1.0
OE1 B:GLN52 4.5 34.6 1.0
CG B:ASN50 4.6 12.8 1.0
OE2 B:GLU51 4.7 41.5 1.0
NE2 B:GLN52 4.9 39.2 1.0
NE2 B:HIS77 4.9 13.9 1.0
OE1 B:GLU51 5.0 35.1 1.0
O B:HOH436 5.0 20.8 1.0

Chlorine binding site 5 out of 6 in 3gxg

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Chlorine binding site 5 out of 6 in the Crystal Structure of Putative Phosphatase (DUF442) (YP_001181608.1) From Shewanella Putrefaciens Cn-32 at 1.60 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 Putative Phosphatase (DUF442) (YP_001181608.1) From Shewanella Putrefaciens Cn-32 at 1.60 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl213

b:28.6
occ:1.00
 N B:ASN147 3.1 10.7 1.0
O B:HOH407 3.3 13.2 1.0
OG1 B:THR151 3.6 10.3 1.0
CB B:ASN147 3.8 9.4 1.0
O B:HOH527 3.8 22.5 0.5
CA B:PRO146 3.8 10.1 1.0
O B:HOH930 3.9 38.8 1.0
O B:HOH584 4.0 27.5 1.0
CA B:ASN147 4.0 10.3 1.0
C B:PRO146 4.0 11.3 1.0
O B:ASN147 4.0 11.3 1.0
OE1 B:GLN150 4.1 28.9 0.5
CB B:PRO146 4.4 10.0 1.0
C B:ASN147 4.5 9.1 1.0
CB B:GLN150 4.7 13.0 0.5
CB B:GLN150 4.7 13.6 0.5
N B:THR151 4.9 7.8 1.0
CB B:THR151 4.9 7.6 1.0

Chlorine binding site 6 out of 6 in 3gxg

Go back to Chlorine Binding Sites List in 3gxg
Chlorine binding site 6 out of 6 in the Crystal Structure of Putative Phosphatase (DUF442) (YP_001181608.1) From Shewanella Putrefaciens Cn-32 at 1.60 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 Putative Phosphatase (DUF442) (YP_001181608.1) From Shewanella Putrefaciens Cn-32 at 1.60 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl215

b:29.2
occ:1.00
 NZ C:LYS164 2.9 10.2 1.0
O C:HOH581 3.1 26.8 1.0
O C:HOH407 3.5 14.3 1.0
CE C:LYS164 3.6 9.4 1.0
CG C:GLN99 3.8 10.0 1.0
CD C:LYS164 3.9 11.7 1.0
CB C:GLN99 3.9 8.3 1.0
CA C:GLN99 4.0 8.0 1.0
O C:HOH383 4.3 9.9 1.0
NE2 C:GLN99 4.3 24.6 1.0
CD C:GLN99 4.5 19.2 1.0
O C:GLN99 4.5 10.9 1.0
C C:GLN99 4.7 9.8 1.0
CG C:LYS164 5.0 9.9 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sat Jul 20 20:34:37 2024

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