Chlorine in PDB 6lzs: W363A Mutant of Chitin-Specific Solute Binding Protein From Vibrio Harveyi in Complex with Chitobiose.

Protein crystallography data

The structure of W363A Mutant of Chitin-Specific Solute Binding Protein From Vibrio Harveyi in Complex with Chitobiose., PDB code: 6lzs was solved by Y.Kitaoku, P.Ubonbal, L.T.Tran, R.C.Robinson, W.Suginta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.87 / 2.00
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 59.651, 80.379, 112.777, 90.19, 89.89, 79.08
R / Rfree (%) 21.4 / 28.2

Other elements in 6lzs:

The structure of W363A Mutant of Chitin-Specific Solute Binding Protein From Vibrio Harveyi in Complex with Chitobiose. also contains other interesting chemical elements:

Calcium (Ca) 11 atoms
Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the W363A Mutant of Chitin-Specific Solute Binding Protein From Vibrio Harveyi in Complex with Chitobiose. (pdb code 6lzs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the W363A Mutant of Chitin-Specific Solute Binding Protein From Vibrio Harveyi in Complex with Chitobiose., PDB code: 6lzs:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 6lzs

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Chlorine binding site 1 out of 7 in the W363A Mutant of Chitin-Specific Solute Binding Protein From Vibrio Harveyi in Complex with Chitobiose.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of W363A Mutant of Chitin-Specific Solute Binding Protein From Vibrio Harveyi in Complex with Chitobiose. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl607

b:29.7
occ:1.00
NE2 A:GLN471 3.1 28.6 1.0
OG A:SER298 3.2 25.2 1.0
N A:SER298 3.4 19.2 1.0
O A:HOH803 3.4 21.4 1.0
CB A:SER298 3.5 18.0 1.0
CD2 A:PHE296 3.7 20.6 1.0
N A:ALA297 3.7 24.8 1.0
CG A:GLN471 3.7 28.6 1.0
CB A:PHE296 3.8 27.5 1.0
CA A:HIS313 3.8 32.9 1.0
CD A:GLN471 3.9 30.7 1.0
CA A:PHE296 3.9 20.7 1.0
CB A:ALA475 4.0 29.5 1.0
C A:PHE296 4.1 27.5 1.0
CA A:SER298 4.1 20.6 1.0
CG2 A:THR312 4.1 35.7 1.0
CG A:PHE296 4.2 25.2 1.0
N A:HIS313 4.2 29.0 1.0
CB A:HIS313 4.3 33.7 1.0
CD2 A:HIS313 4.3 32.5 1.0
C A:ALA297 4.4 26.3 1.0
CA A:ALA297 4.4 24.0 1.0
CB A:ALA297 4.5 26.6 1.0
C A:THR312 4.6 28.7 1.0
CG A:HIS313 4.6 31.9 1.0
O A:THR312 4.6 23.6 1.0
CE2 A:PHE296 4.7 29.5 1.0
O A:GLN471 4.9 31.4 1.0
O A:PHE296 5.0 29.2 1.0
C A:HIS313 5.0 36.4 1.0

Chlorine binding site 2 out of 7 in 6lzs

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Chlorine binding site 2 out of 7 in the W363A Mutant of Chitin-Specific Solute Binding Protein From Vibrio Harveyi in Complex with Chitobiose.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of W363A Mutant of Chitin-Specific Solute Binding Protein From Vibrio Harveyi in Complex with Chitobiose. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl605

b:35.5
occ:1.00
OG B:SER298 3.0 23.6 1.0
NE2 B:GLN471 3.3 35.2 1.0
CD2 B:PHE296 3.3 34.6 1.0
CB B:SER298 3.5 35.5 1.0
N B:SER298 3.5 31.1 1.0
CB B:PHE296 3.7 32.3 1.0
CA B:HIS313 3.7 45.1 1.0
N B:ALA297 3.8 33.4 1.0
CA B:PHE296 3.8 24.2 1.0
CG B:PHE296 3.9 35.4 1.0
CB B:ALA475 4.0 33.8 1.0
N B:HIS313 4.0 45.4 1.0
CG B:GLN471 4.1 36.4 1.0
C B:PHE296 4.1 35.7 1.0
CB B:HIS313 4.1 40.5 1.0
CG2 B:THR312 4.1 32.2 1.0
CD B:GLN471 4.1 39.8 1.0
CA B:SER298 4.2 31.6 1.0
CE2 B:PHE296 4.3 35.0 1.0
CD2 B:HIS313 4.5 38.5 1.0
C B:THR312 4.5 41.4 1.0
CG B:HIS313 4.5 38.0 1.0
C B:ALA297 4.5 30.6 1.0
CA B:ALA297 4.6 32.7 1.0
O B:THR312 4.7 43.6 1.0
CB B:ALA297 4.8 29.9 1.0
CB B:THR312 4.9 44.6 1.0
C B:HIS313 5.0 42.3 1.0
O B:PHE296 5.0 32.5 1.0

Chlorine binding site 3 out of 7 in 6lzs

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Chlorine binding site 3 out of 7 in the W363A Mutant of Chitin-Specific Solute Binding Protein From Vibrio Harveyi in Complex with Chitobiose.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of W363A Mutant of Chitin-Specific Solute Binding Protein From Vibrio Harveyi in Complex with Chitobiose. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl606

b:17.7
occ:1.00
OG C:SER298 3.1 22.2 1.0
O C:HOH838 3.1 22.1 1.0
N C:SER298 3.2 23.0 1.0
NE2 C:GLN471 3.3 20.9 1.0
CB C:SER298 3.3 20.5 1.0
N C:ALA297 3.5 17.8 1.0
CG C:GLN471 3.8 19.2 1.0
CA C:SER298 3.9 23.9 1.0
CB C:PHE296 3.9 20.8 1.0
CB C:ALA475 3.9 24.8 1.0
CA C:PHE296 3.9 20.2 1.0
C C:PHE296 3.9 23.7 1.0
CA C:HIS313 4.0 29.7 1.0
CD2 C:PHE296 4.1 18.9 1.0
CD C:GLN471 4.1 23.3 1.0
C C:ALA297 4.1 24.0 1.0
CG2 C:THR312 4.2 29.0 1.0
CA C:ALA297 4.2 17.6 1.0
CB C:ALA297 4.2 16.6 1.0
N C:HIS313 4.3 27.4 1.0
CG C:PHE296 4.5 21.5 1.0
CD2 C:HIS313 4.5 23.8 1.0
O C:THR312 4.5 20.0 1.0
C C:THR312 4.6 21.1 1.0
CB C:HIS313 4.6 31.1 1.0
O C:GLN471 4.7 21.3 1.0
O C:PHE296 4.8 23.2 1.0
CG C:HIS313 4.9 25.9 1.0
C C:SER298 4.9 18.4 1.0
N C:GLY299 5.0 16.4 1.0

Chlorine binding site 4 out of 7 in 6lzs

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Chlorine binding site 4 out of 7 in the W363A Mutant of Chitin-Specific Solute Binding Protein From Vibrio Harveyi in Complex with Chitobiose.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of W363A Mutant of Chitin-Specific Solute Binding Protein From Vibrio Harveyi in Complex with Chitobiose. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl607

b:52.9
occ:1.00
O C:LEU191 2.8 22.0 1.0
O C:ALA188 3.2 24.8 1.0
OE2 C:GLU181 3.8 25.6 1.0
O C:HOH716 3.9 36.7 1.0
C C:LEU191 3.9 25.6 1.0
C C:ALA188 4.2 21.5 1.0
OE1 C:GLU181 4.3 27.1 1.0
CD C:GLU181 4.5 33.5 1.0
CB C:LEU191 4.7 16.2 1.0
CA C:LEU191 4.7 25.9 1.0
CB C:ALA188 4.8 20.7 1.0
OD1 C:ASP192 4.9 31.5 1.0
N C:LEU191 4.9 18.2 1.0
CA C:ALA188 4.9 22.7 1.0
N C:ASP192 4.9 25.2 1.0

Chlorine binding site 5 out of 7 in 6lzs

Go back to Chlorine Binding Sites List in 6lzs
Chlorine binding site 5 out of 7 in the W363A Mutant of Chitin-Specific Solute Binding Protein From Vibrio Harveyi in Complex with Chitobiose.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of W363A Mutant of Chitin-Specific Solute Binding Protein From Vibrio Harveyi in Complex with Chitobiose. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl608

b:54.5
occ:1.00
O C:GLU400 3.8 28.3 1.0
C C:GLU400 4.3 22.3 1.0
CZ C:PHE441 4.4 20.5 1.0
CE1 C:PHE441 4.4 15.5 1.0
O C:LEU399 4.7 24.0 1.0
CE2 C:PHE441 4.8 15.8 1.0
N C:GLY401 4.8 20.6 1.0
CA C:GLY401 4.8 22.0 1.0
CD1 C:PHE441 4.9 16.8 1.0

Chlorine binding site 6 out of 7 in 6lzs

Go back to Chlorine Binding Sites List in 6lzs
Chlorine binding site 6 out of 7 in the W363A Mutant of Chitin-Specific Solute Binding Protein From Vibrio Harveyi in Complex with Chitobiose.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of W363A Mutant of Chitin-Specific Solute Binding Protein From Vibrio Harveyi in Complex with Chitobiose. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl609

b:44.7
occ:1.00
CD1 C:PHE304 3.8 26.8 1.0
O C:ALA303 3.9 17.3 1.0
CE1 C:PHE304 4.1 34.5 1.0
NE1 C:TRP307 4.3 18.4 1.0
CD1 C:TRP307 4.4 25.8 1.0
O C:ALA414 4.6 17.2 1.0
O B:HOH821 4.7 33.5 1.0
CA C:PHE304 4.8 29.1 1.0
CG C:PHE304 5.0 28.5 1.0
C C:ALA303 5.0 25.1 1.0

Chlorine binding site 7 out of 7 in 6lzs

Go back to Chlorine Binding Sites List in 6lzs
Chlorine binding site 7 out of 7 in the W363A Mutant of Chitin-Specific Solute Binding Protein From Vibrio Harveyi in Complex with Chitobiose.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of W363A Mutant of Chitin-Specific Solute Binding Protein From Vibrio Harveyi in Complex with Chitobiose. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl608

b:22.6
occ:1.00
NE2 D:GLN471 3.1 33.6 1.0
OG D:SER298 3.1 26.9 1.0
O D:HOH850 3.2 33.6 1.0
CB D:SER298 3.4 26.7 1.0
N D:SER298 3.4 16.8 1.0
CG D:GLN471 3.6 23.0 1.0
N D:ALA297 3.8 25.9 1.0
CA D:HIS313 3.8 33.2 1.0
CD D:GLN471 3.8 27.4 1.0
CB D:ALA475 3.9 16.7 1.0
CD2 D:PHE296 3.9 26.6 1.0
CB D:PHE296 3.9 23.3 1.0
CA D:SER298 4.0 24.3 1.0
CA D:PHE296 4.0 18.1 1.0
CB D:HIS313 4.1 31.9 1.0
C D:PHE296 4.1 27.7 1.0
ND1 D:HIS313 4.2 37.7 1.0
N D:HIS313 4.3 36.6 1.0
C D:ALA297 4.4 21.2 1.0
CG D:PHE296 4.4 27.0 1.0
CA D:ALA297 4.4 23.8 1.0
CG2 D:THR312 4.5 29.8 1.0
CG D:HIS313 4.6 32.5 1.0
CB D:ALA297 4.6 26.8 1.0
C D:THR312 4.7 33.2 1.0
O D:GLN471 4.8 24.4 1.0
O D:THR312 4.8 37.8 1.0
O D:PHE296 4.9 21.1 1.0

Reference:

Y.Kitaoku, P.Ubonbal, L.T.Tran, R.C.Robinson, W.Suginta. Structural Insight Into Chitin-Specific Solute-Binding Protein From Vibrio Harveyi To Be Published.
Page generated: Wed Mar 3 12:46:23 2021

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