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Chlorine in PDB 5w15: Crystal Structure of An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria.

Protein crystallography data

The structure of Crystal Structure of An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria., PDB code: 5w15 was solved by Ssgcid, Seattle Structural Genomics Center For Infectious Disease(Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.75
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 60.070, 143.590, 75.850, 90.00, 111.34, 90.00
R / Rfree (%) 16.6 / 18.8

Other elements in 5w15:

The structure of Crystal Structure of An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria. also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria. (pdb code 5w15). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria., PDB code: 5w15:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 5w15

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Chlorine binding site 1 out of 8 in the Crystal Structure of An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria.


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 An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:30.0
occ:1.00
 O A:HOH694 2.7 38.5 1.0
O A:HOH407 3.0 42.3 1.0
NH2 A:ARG40 3.0 20.2 1.0
N A:HIS-1 3.2 44.0 1.0
NE A:ARG40 3.2 20.0 1.0
CB A:HIS-2 3.4 50.5 1.0
CZ A:ARG40 3.6 20.0 1.0
CD2 A:HIS-1 3.7 46.1 1.0
CB A:HIS-1 3.8 40.6 1.0
CA A:HIS-2 3.9 53.1 1.0
CG2 A:VAL171 3.9 21.9 1.0
CD A:ARG41 4.0 17.9 1.0
C A:HIS-2 4.0 50.1 1.0
CA A:HIS-1 4.0 41.9 1.0
CG A:HIS-1 4.1 43.6 1.0
CD A:ARG40 4.4 19.5 1.0
CG A:HIS-2 4.4 47.9 1.0
O A:HIS-1 4.6 37.9 1.0
CG A:ARG41 4.6 17.3 1.0
ND1 A:HIS-2 4.7 44.6 1.0
C A:HIS-1 4.8 38.8 1.0
NH1 A:ARG40 4.9 20.5 1.0
NH1 A:ARG41 4.9 18.4 1.0
CG A:ARG40 4.9 19.2 1.0
NE2 A:HIS-1 5.0 49.3 1.0

Chlorine binding site 2 out of 8 in 5w15

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Chlorine binding site 2 out of 8 in the Crystal Structure of An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria.


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 An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:30.0
occ:1.00
 O A:HOH611 3.1 23.0 1.0
N A:GLN197 3.2 23.2 1.0
O A:HOH753 3.2 47.3 1.0
O A:HOH657 3.2 48.3 1.0
CA A:ARG196 3.7 22.0 1.0
CG A:GLN197 3.8 22.8 1.0
CD A:ARG196 3.8 24.4 1.0
C A:ARG196 3.9 21.5 1.0
CB A:GLN197 4.0 22.8 1.0
CB A:ARG196 4.1 22.8 1.0
CA A:GLN197 4.2 22.8 1.0
O C:HOH649 4.5 52.8 1.0
CG A:ARG196 4.6 23.4 1.0
O A:MET195 4.7 24.4 1.0
O A:HOH516 4.8 35.1 1.0
N A:ARG196 4.9 22.1 1.0
N A:ARG198 4.9 23.8 1.0
NE A:ARG196 4.9 25.8 1.0
CD A:GLN197 4.9 22.4 1.0
O A:HOH434 5.0 43.4 1.0

Chlorine binding site 3 out of 8 in 5w15

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Chlorine binding site 3 out of 8 in the Crystal Structure of An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria.


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 An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:30.0
occ:1.00
 N A:GLU11 2.8 24.6 1.0
O A:HOH738 2.9 31.0 1.0
O A:ASN9 3.1 23.3 1.0
CA A:PHE10 3.5 20.0 1.0
C A:PHE10 3.6 21.7 1.0
CA A:GLU11 3.7 27.7 1.0
C A:ASN9 3.9 22.9 1.0
O A:HOH499 4.0 35.8 1.0
N A:PHE10 4.1 19.4 1.0
CG A:GLU11 4.2 28.2 1.0
O A:HOH741 4.4 37.8 1.0
O A:HOH583 4.5 35.0 1.0
CB A:GLU11 4.6 28.5 1.0
CD1 A:PHE10 4.7 20.3 1.0
OD1 A:ASN9 4.7 27.4 1.0
CB A:PHE10 4.8 19.5 1.0
O A:PHE10 4.8 22.2 1.0
N A:GLY12 4.8 30.8 1.0
C A:GLU11 4.8 29.0 1.0
CZ A:PHE8 4.9 20.8 1.0
CG A:ASN9 4.9 27.5 1.0

Chlorine binding site 4 out of 8 in 5w15

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Chlorine binding site 4 out of 8 in the Crystal Structure of An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria.


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 An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:30.0
occ:1.00
 O B:HOH626 3.0 42.5 1.0
N B:GLN197 3.1 29.4 1.0
O B:HOH586 3.2 27.6 1.0
O B:HOH652 3.5 46.7 1.0
CA B:ARG196 3.5 22.0 1.0
CG B:GLN197 3.8 30.3 1.0
C B:ARG196 3.8 21.6 1.0
CD B:ARG196 3.9 25.9 1.0
CB B:ARG196 4.0 23.5 1.0
CB B:GLN197 4.1 30.0 1.0
CA B:GLN197 4.2 29.2 1.0
O B:MET195 4.4 25.3 1.0
CG B:ARG196 4.6 24.2 1.0
N B:ARG196 4.7 20.3 1.0
CD B:GLN197 4.9 29.1 1.0
O B:HOH654 5.0 48.1 1.0
C B:MET195 5.0 25.1 1.0

Chlorine binding site 5 out of 8 in 5w15

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Chlorine binding site 5 out of 8 in the Crystal Structure of An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria.


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 An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:30.0
occ:1.00
 OG B:SER173 2.9 20.2 0.4
O B:HOH700 3.0 48.8 1.0
NE B:ARG176 3.1 19.4 1.0
O B:HOH593 3.2 38.6 1.0
CD1 B:LEU180 3.5 19.1 1.0
NH2 B:ARG176 3.6 20.2 1.0
CB B:SER173 3.7 20.2 0.4
OG B:SER173 3.8 20.4 0.6
CA B:SER173 3.8 19.8 0.4
CA B:SER173 3.8 19.8 0.6
CB B:SER173 3.8 20.2 0.6
CZ B:ARG176 3.8 19.6 1.0
N B:ALA177 3.9 17.6 1.0
CA B:ALA177 3.9 17.9 1.0
O B:SER173 3.9 19.9 1.0
CB B:ALA177 4.0 18.4 1.0
CG B:ARG176 4.1 18.3 1.0
CD B:ARG176 4.1 18.3 1.0
O B:HOH426 4.2 60.6 1.0
CB B:ARG176 4.2 18.2 1.0
C B:SER173 4.3 19.8 1.0
O B:HOH718 4.4 30.1 1.0
C B:ARG176 4.5 19.1 1.0
NE2 B:HIS152 4.7 19.1 1.0
CG B:LEU180 4.7 18.5 1.0
CA B:ARG176 4.9 18.1 1.0
N B:SER173 5.0 19.6 1.0

Chlorine binding site 6 out of 8 in 5w15

Go back to Chlorine Binding Sites List in 5w15
Chlorine binding site 6 out of 8 in the Crystal Structure of An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria.


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 An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:30.0
occ:1.00
 O C:HOH623 3.1 30.0 1.0
O C:HOH601 3.1 28.5 1.0
N C:GLN197 3.2 32.1 1.0
CA C:ARG196 3.7 20.4 1.0
CG C:GLN197 3.9 32.8 1.0
C C:ARG196 3.9 19.8 1.0
CD C:ARG196 4.0 24.0 1.0
CB C:GLN197 4.1 32.4 1.0
CB C:ARG196 4.2 21.6 1.0
CA C:GLN197 4.2 32.0 1.0
O C:MET195 4.6 24.1 1.0
CG C:ARG196 4.7 22.5 1.0
O C:HOH416 4.7 42.5 1.0
N C:ARG196 4.8 19.0 1.0
O C:HOH610 4.8 40.6 1.0

Chlorine binding site 7 out of 8 in 5w15

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Chlorine binding site 7 out of 8 in the Crystal Structure of An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria.


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 An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl303

b:30.0
occ:1.00
 O C:HOH684 2.4 37.4 1.0
O C:ASN9 2.9 26.1 1.0
N C:GLU11 2.9 29.0 1.0
O C:HOH694 2.9 32.2 1.0
CA C:PHE10 3.6 22.4 1.0
C C:PHE10 3.7 24.0 1.0
C C:ASN9 3.8 25.0 1.0
CA C:GLU11 3.8 30.9 1.0
O C:HOH466 3.9 32.9 1.0
N C:PHE10 4.1 22.5 1.0
O C:HOH702 4.2 47.9 1.0
CG C:GLU11 4.3 31.0 1.0
O C:HOH700 4.4 36.4 1.0
CG C:ASN9 4.6 30.5 1.0
ND2 C:ASN9 4.6 33.7 1.0
OD1 C:ASN9 4.6 29.2 1.0
O C:HOH503 4.6 26.9 1.0
CZ C:PHE8 4.7 24.2 1.0
CB C:GLU11 4.7 30.5 1.0
CD1 C:PHE10 4.8 21.7 1.0
CB C:PHE10 4.8 20.5 1.0
O C:PHE10 4.9 23.7 1.0
CE2 C:PHE8 5.0 22.5 1.0
N C:GLY12 5.0 28.0 1.0
C C:GLU11 5.0 31.5 1.0

Chlorine binding site 8 out of 8 in 5w15

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Chlorine binding site 8 out of 8 in the Crystal Structure of An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria.


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 An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:30.0
occ:1.00
 O D:HOH653 3.1 44.7 1.0
O D:HOH633 3.2 26.6 1.0
N D:GLN197 3.2 23.0 1.0
CA D:ARG196 3.7 22.0 1.0
CD D:ARG196 3.8 25.6 1.0
CG D:GLN197 3.9 23.5 1.0
C D:ARG196 3.9 21.1 1.0
O D:HOH659 4.1 45.6 1.0
CB D:GLN197 4.1 23.0 1.0
CB D:ARG196 4.2 23.1 1.0
CA D:GLN197 4.2 22.2 1.0
CG D:ARG196 4.6 24.3 1.0
O D:MET195 4.6 25.2 1.0
N D:ARG196 4.9 21.2 1.0
CD D:GLN197 4.9 22.9 1.0
N D:ARG198 5.0 26.3 1.0
NE2 D:GLN197 5.0 23.2 1.0
NE D:ARG196 5.0 27.2 1.0

Reference:

R.M.Irwin, S.J.Mayclin, D.Lorimer, T.E.Edwards. Crystal Structure of An Alpha/Beta Hydrolase Fold Protein From Burkholderia Ambifaria. To Be Published.
Page generated: Fri Jul 26 19:08:28 2024

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