Chlorine in PDB 6zuc: X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex

Enzymatic activity of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex

All present enzymatic activity of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex:
3.1.3.16;

Protein crystallography data

The structure of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex, PDB code: 6zuc was solved by A.Albert, L.Infantes, J.L.Benavente, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.73 / 2.37
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.959, 62.733, 186.926, 90, 90, 90
R / Rfree (%) 18.1 / 24.3

Other elements in 6zuc:

The structure of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex also contains other interesting chemical elements:

Manganese (Mn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex (pdb code 6zuc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex, PDB code: 6zuc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 6zuc

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Chlorine binding site 1 out of 6 in the X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl605

b:61.3
occ:1.00
 NH1 B:ARG449 3.1 29.2 1.0
CD B:ARG449 3.4 61.4 1.0
NH2 B:ARG450 3.7 58.7 1.0
NE B:ARG450 3.9 57.5 1.0
CZ B:ARG449 4.0 44.8 1.0
CG B:ARG449 4.1 58.7 1.0
NE B:ARG449 4.1 50.8 1.0
CZ B:ARG450 4.3 63.8 1.0
CB B:ARG449 4.3 31.9 1.0
CE2 B:TYR480 4.3 28.1 1.0
CG2 B:ILE446 4.6 36.6 1.0
CE B:MET453 4.7 56.7 1.0
CA B:ILE446 4.7 30.0 1.0
CG1 B:ILE446 4.8 44.4 1.0
OH B:TYR480 4.8 53.4 1.0
CZ B:TYR480 4.9 35.9 1.0
O B:ILE446 4.9 34.9 1.0
CB B:ILE446 4.9 40.4 1.0

Chlorine binding site 2 out of 6 in 6zuc

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Chlorine binding site 2 out of 6 in the X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl606

b:67.1
occ:1.00
 N B:SER200 3.2 41.6 1.0
O B:HOH764 3.2 38.2 1.0
CD B:ARG199 3.6 32.0 1.0
OG B:SER200 3.7 68.1 1.0
CA B:ARG199 3.7 33.5 1.0
CB B:SER200 3.9 38.5 1.0
C B:ARG199 4.0 36.2 1.0
CA B:SER200 4.1 39.4 1.0
CB B:ARG199 4.1 31.7 1.0
O A:HOH429 4.2 51.5 1.0
CG B:ARG199 4.4 33.8 1.0
NE B:ARG199 4.5 51.8 1.0
O A:HOH427 4.6 50.2 1.0
NH2 B:ARG199 4.8 68.6 1.0
O B:ASN198 4.8 49.2 1.0
N B:GLU201 4.9 38.8 1.0
N B:ARG199 4.9 39.8 1.0

Chlorine binding site 3 out of 6 in 6zuc

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Chlorine binding site 3 out of 6 in the X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl607

b:95.4
occ:1.00
 O B:ARG450 2.9 30.3 1.0
O B:HOH722 3.2 46.2 1.0
CD B:ARG450 3.6 44.6 1.0
N B:TRP454 3.7 37.2 1.0
C B:ARG450 3.8 32.4 1.0
CB B:ALA476 3.8 26.9 1.0
CB B:MET453 3.9 45.5 1.0
CB B:TRP454 3.9 33.9 1.0
CA B:ARG450 3.9 34.8 1.0
CB B:ARG450 4.1 31.8 1.0
CA B:TRP454 4.1 35.7 1.0
NZ B:LYS457 4.3 75.0 1.0
NH1 B:ARG450 4.3 57.5 1.0
CG B:MET453 4.3 69.0 1.0
C B:MET453 4.4 42.2 1.0
SD B:MET453 4.4 80.5 1.0
NE B:ARG450 4.5 57.5 1.0
CG B:ARG450 4.5 47.3 1.0
CD1 B:TRP454 4.7 35.2 1.0
CA B:MET453 4.7 38.4 1.0
CG B:TRP454 4.7 42.1 1.0
CZ B:ARG450 4.8 63.8 1.0
CE B:LYS457 4.9 77.9 1.0
N B:ILE451 5.0 36.3 1.0

Chlorine binding site 4 out of 6 in 6zuc

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Chlorine binding site 4 out of 6 in the X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl608

b:52.6
occ:1.00
 N B:HIS248 3.0 42.0 1.0
N B:LYS249 3.2 36.5 1.0
CA B:GLY247 3.3 38.3 1.0
CD B:LYS249 3.5 64.7 1.0
CG B:LYS249 3.5 55.0 1.0
C B:GLY247 3.6 34.4 1.0
CB B:LYS249 3.7 43.0 1.0
CG1 B:VAL325 4.0 44.1 1.0
CA B:LYS249 4.1 33.7 1.0
CA B:HIS248 4.1 53.4 1.0
C B:HIS248 4.1 42.4 1.0
CG2 B:VAL325 4.2 48.3 1.0
ND1 B:HIS248 4.3 49.6 1.0
CG B:HIS248 4.4 50.5 1.0
CE1 B:HIS248 4.5 48.2 1.0
CD2 B:HIS248 4.5 49.2 1.0
NE2 B:HIS248 4.6 51.8 1.0
CE B:LYS249 4.6 76.1 1.0
CB B:ALA321 4.6 63.6 1.0
N B:GLY247 4.7 37.4 1.0
O B:GLY247 4.7 31.1 1.0
CB B:VAL325 4.7 47.0 1.0
O B:GLY246 4.8 45.2 1.0
CB B:HIS248 4.8 51.7 1.0

Chlorine binding site 5 out of 6 in 6zuc

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Chlorine binding site 5 out of 6 in the X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl609

b:108.4
occ:1.00
 CB B:ASP367 3.5 52.3 1.0
OE1 B:GLN384 3.6 74.9 1.0
CD2 B:TYR372 3.9 56.2 1.0
CE2 B:TYR372 3.9 57.7 1.0
CA B:ASP367 4.0 51.2 1.0
CG1 B:VAL382 4.5 51.2 1.0
CD B:GLN384 4.5 67.9 1.0
NE2 B:GLN384 4.7 75.9 1.0
O B:ASP367 4.7 52.1 1.0
CB B:ALA388 4.7 41.8 1.0
CG B:ASP367 4.9 71.8 1.0
C B:ASP367 4.9 47.0 1.0
CG B:TYR372 5.0 55.1 1.0
O B:PRO366 5.0 45.2 1.0

Chlorine binding site 6 out of 6 in 6zuc

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Chlorine binding site 6 out of 6 in the X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl610

b:125.4
occ:1.00
 CG B:GLN285 3.3 68.6 1.0
CD B:LYS288 3.9 62.5 1.0
CB B:LYS288 4.0 51.0 1.0
CA B:GLN285 4.0 55.6 1.0
CB B:GLN285 4.1 58.4 1.0
CD1 B:ILE269 4.2 83.2 1.0
O B:GLN285 4.2 50.3 1.0
CD B:GLN285 4.3 82.0 1.0
NE2 B:GLN285 4.6 76.5 1.0
CG B:LYS288 4.6 58.1 1.0
C B:GLN285 4.6 46.7 1.0
CG2 B:ILE269 4.6 78.9 1.0
CE B:LYS288 4.8 70.5 1.0
CG1 B:ILE269 4.9 84.3 1.0
CG2 B:VAL289 5.0 49.5 1.0

Reference:

A.Albert, L.Infantes, J.L.Benavente. X-Ray Crystal Structure of the CSPYL1-LIG1-HAB1 Ternary Complex To Be Published.
Page generated: Sat Aug 21 13:09:32 2021

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