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Chlorine in PDB 4s37: Crystal Structure of R2 Pyocin Membrane-Piercing Spike

Protein crystallography data

The structure of Crystal Structure of R2 Pyocin Membrane-Piercing Spike, PDB code: 4s37 was solved by C.B.Browning, P.G.Leiman, M.M.Shneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.19 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 94.945, 137.471, 164.759, 90.00, 106.56, 90.00
R / Rfree (%) 16.3 / 20.8

Other elements in 4s37:

The structure of Crystal Structure of R2 Pyocin Membrane-Piercing Spike also contains other interesting chemical elements:

Calcium (Ca) 6 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 19;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of R2 Pyocin Membrane-Piercing Spike (pdb code 4s37). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 19 binding sites of Chlorine where determined in the Crystal Structure of R2 Pyocin Membrane-Piercing Spike, PDB code: 4s37:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 19 in 4s37

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Chlorine binding site 1 out of 19 in the Crystal Structure of R2 Pyocin Membrane-Piercing Spike


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 R2 Pyocin Membrane-Piercing Spike within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:0.9
occ:1.00
 N A:GLY36 3.4 57.5 1.0
NH2 A:ARG34 3.7 46.0 0.5
O A:ARG34 3.8 44.8 0.5
O A:ARG34 3.9 44.3 0.5
CA A:SER35 4.0 46.4 1.0
C A:SER35 4.2 51.6 1.0
CZ A:ARG34 4.2 47.0 0.5
O A:HOH425 4.3 60.6 1.0
O A:PRO18 4.3 44.8 1.0
CA A:GLY36 4.3 54.8 1.0
NH1 A:ARG34 4.3 54.0 0.5
C A:ARG34 4.5 42.0 0.5
C A:ARG34 4.5 41.9 0.5
N A:SER35 4.7 43.6 1.0
CG1 A:VAL20 4.7 44.4 1.0
CA A:CYS19 4.7 39.0 1.0
O A:GLY36 4.9 53.7 1.0
C A:PRO18 5.0 44.5 1.0
N A:VAL20 5.0 42.2 1.0

Chlorine binding site 2 out of 19 in 4s37

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Chlorine binding site 2 out of 19 in the Crystal Structure of R2 Pyocin Membrane-Piercing Spike


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 R2 Pyocin Membrane-Piercing Spike within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl204

b:92.1
occ:1.00
 NH2 C:ARG30 2.5 45.9 0.4
O C:ALA28 3.1 40.2 1.0
O C:ALA29 3.2 29.7 1.0
O B:HOH455 3.2 63.7 1.0
NE C:ARG30 3.3 45.7 0.6
CG C:ARG44 3.5 44.5 1.0
O C:HOH388 3.5 53.2 1.0
CZ C:ARG30 3.7 44.8 0.4
CD C:ARG30 3.7 38.8 0.6
CD C:ARG44 3.7 53.4 1.0
O B:HOH448 3.8 63.0 1.0
CB C:ALA29 3.9 31.9 1.0
C C:ALA29 4.0 33.0 1.0
O C:HOH309 4.0 31.2 1.0
CG C:ARG30 4.1 40.8 0.6
CD C:ARG30 4.2 39.3 0.4
CG C:ARG30 4.2 40.5 0.4
C C:ALA28 4.2 40.5 1.0
CZ C:ARG30 4.3 43.7 0.6
NE C:ARG30 4.3 39.8 0.4
CA C:ALA29 4.4 31.6 1.0
NH2 C:ARG30 4.5 31.1 0.6
NH1 C:ARG30 4.6 49.4 0.4
CB C:ARG44 4.7 39.7 1.0
O B:HOH313 4.7 31.9 1.0
CB B:TYR84 4.7 29.1 1.0
N C:ALA29 4.8 35.5 1.0
CD2 B:TYR84 4.8 29.9 1.0
N C:ARG30 4.9 30.5 0.6
N C:ARG30 4.9 31.2 0.4

Chlorine binding site 3 out of 19 in 4s37

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Chlorine binding site 3 out of 19 in the Crystal Structure of R2 Pyocin Membrane-Piercing Spike


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 R2 Pyocin Membrane-Piercing Spike within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl205

b:79.8
occ:1.00
 O D:HOH437 2.7 82.6 1.0
OG D:SER75 3.4 63.5 1.0
N D:SER75 3.4 49.1 1.0
N D:VAL74 3.5 44.1 1.0
CB D:SER75 3.6 53.4 1.0
CA D:GLY73 3.7 48.6 1.0
C D:GLY73 3.7 47.5 1.0
CG2 D:VAL74 4.1 38.4 1.0
CA D:SER75 4.1 46.4 1.0
C D:VAL74 4.4 49.0 1.0
CA D:VAL74 4.4 43.0 1.0
O D:GLY73 4.5 43.1 1.0
O D:GLY72 4.7 51.3 1.0
CB D:VAL74 4.9 43.2 1.0
N D:GLY73 4.9 52.0 1.0

Chlorine binding site 4 out of 19 in 4s37

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Chlorine binding site 4 out of 19 in the Crystal Structure of R2 Pyocin Membrane-Piercing Spike


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 R2 Pyocin Membrane-Piercing Spike within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl206

b:91.4
occ:1.00
 NE D:ARG30 2.7 68.6 1.0
O D:HOH403 2.7 56.0 1.0
NH2 D:ARG30 3.3 79.2 1.0
O D:HOH449 3.3 69.3 1.0
CZ D:ARG30 3.3 71.1 1.0
CG D:ARG44 3.4 40.2 1.0
O D:ALA28 3.5 41.0 1.0
CD D:ARG44 3.6 58.6 1.0
CD D:ARG30 3.6 62.1 1.0
CG D:ARG30 3.7 54.1 1.0
O D:HOH420 3.8 49.3 1.0
O D:ALA29 4.0 31.8 1.0
NH1 D:ARG30 4.5 60.3 1.0
C D:ALA28 4.8 40.7 1.0
CB D:ARG44 4.8 33.8 1.0
C D:ALA29 4.8 37.9 1.0
NE D:ARG44 4.8 60.0 1.0

Chlorine binding site 5 out of 19 in 4s37

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Chlorine binding site 5 out of 19 in the Crystal Structure of R2 Pyocin Membrane-Piercing Spike


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 R2 Pyocin Membrane-Piercing Spike within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl202

b:93.9
occ:1.00
 OG E:SER75 3.4 64.6 1.0
N E:VAL74 3.5 58.4 1.0
CA E:GLY73 3.5 61.5 1.0
N E:SER75 3.6 52.0 1.0
C E:GLY73 3.7 58.2 1.0
CB E:SER75 3.8 56.3 1.0
CG2 E:VAL74 4.1 47.8 1.0
O E:HOH409 4.2 70.2 1.0
CA E:SER75 4.4 51.0 1.0
CA E:VAL74 4.4 58.9 1.0
O E:GLY72 4.4 69.0 1.0
OH J:TYR3 4.5 93.8 1.0
C E:VAL74 4.5 60.2 1.0
O E:GLY73 4.5 51.7 1.0
N E:GLY73 4.7 56.9 1.0
CB E:VAL74 4.9 58.5 1.0

Chlorine binding site 6 out of 19 in 4s37

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Chlorine binding site 6 out of 19 in the Crystal Structure of R2 Pyocin Membrane-Piercing Spike


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 R2 Pyocin Membrane-Piercing Spike within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl203

b:95.9
occ:1.00
 O E:HOH376 2.9 60.1 1.0
NE E:ARG30 3.3 73.6 1.0
CG E:ARG44 3.5 56.8 1.0
CD E:ARG44 3.5 61.8 1.0
O E:ALA28 3.6 51.0 1.0
NH2 E:ARG30 3.6 60.4 1.0
CZ E:ARG30 3.8 73.3 1.0
CG E:ARG30 4.0 49.8 1.0
CD E:ARG30 4.1 66.5 1.0
O D:HOH441 4.2 52.2 1.0
O E:ALA29 4.3 46.6 1.0
CB E:ARG44 4.8 49.1 1.0
C E:ALA28 4.8 56.3 1.0
NH1 E:ARG30 4.9 68.2 1.0
NE E:ARG44 4.9 64.9 1.0
C E:ALA29 5.0 46.3 1.0

Chlorine binding site 7 out of 19 in 4s37

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Chlorine binding site 7 out of 19 in the Crystal Structure of R2 Pyocin Membrane-Piercing Spike


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 R2 Pyocin Membrane-Piercing Spike within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl205

b:88.0
occ:1.00
 NE F:ARG30 2.5 64.9 1.0
O E:HOH423 2.8 49.8 1.0
CD F:ARG30 3.3 50.0 1.0
O F:ALA28 3.4 45.9 1.0
CZ F:ARG30 3.4 84.6 1.0
CG F:ARG44 3.4 43.6 1.0
O F:ALA29 3.4 32.1 1.0
NH2 F:ARG30 3.5 93.2 1.0
O F:HOH376 3.6 58.4 1.0
CD F:ARG44 3.7 51.5 1.0
CG F:ARG30 4.0 43.6 1.0
C F:ALA29 4.2 37.5 1.0
CB F:ALA29 4.4 29.3 1.0
C F:ALA28 4.6 49.3 1.0
NH1 F:ARG30 4.6 85.8 1.0
O F:HOH331 4.7 33.0 1.0
CB F:ARG44 4.7 38.5 1.0
CA F:ALA29 4.8 36.3 1.0
CB E:TYR84 5.0 36.1 1.0

Chlorine binding site 8 out of 19 in 4s37

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Chlorine binding site 8 out of 19 in the Crystal Structure of R2 Pyocin Membrane-Piercing Spike


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 R2 Pyocin Membrane-Piercing Spike within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl204

b:89.7
occ:1.00
 NE G:ARG30 2.5 77.5 1.0
CZ G:ARG30 3.2 81.6 1.0
NH1 G:ARG30 3.2 73.3 1.0
O G:HOH364 3.2 42.6 1.0
O I:HOH386 3.3 54.8 1.0
CG G:ARG44 3.4 33.4 1.0
CD G:ARG30 3.4 63.7 1.0
CG G:ARG30 3.4 40.0 1.0
O G:ALA28 3.7 39.9 1.0
CD G:ARG44 3.8 43.6 1.0
O I:HOH420 3.9 60.9 1.0
O G:ALA29 4.1 28.9 1.0
NH2 G:ARG30 4.3 83.9 1.0
O J:HOH410 4.7 46.7 1.0
O J:HOH402 4.7 46.4 1.0
O G:HOH399 4.8 72.0 1.0
CB G:ARG44 4.8 42.4 1.0
C G:ALA29 4.8 33.5 1.0
CB G:ARG30 4.8 39.0 1.0
C G:ALA28 4.9 39.4 1.0
NE G:ARG44 4.9 41.5 1.0
O J:HOH413 4.9 47.0 1.0

Chlorine binding site 9 out of 19 in 4s37

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Chlorine binding site 9 out of 19 in the Crystal Structure of R2 Pyocin Membrane-Piercing Spike


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of R2 Pyocin Membrane-Piercing Spike within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl205

b:65.3
occ:1.00
 O J:HOH446 2.4 58.5 1.0
O J:HOH447 2.4 76.0 1.0
O J:HOH439 3.4 35.4 1.0
NE1 G:TRP42 3.6 36.4 1.0
NH2 J:ARG32 4.0 39.4 1.0
NH1 J:ARG32 4.0 35.5 1.0
NH1 G:ARG32 4.1 64.3 1.0
CZ J:ARG32 4.5 40.4 1.0
CE2 G:TRP42 4.5 36.9 1.0
CD1 G:TRP42 4.5 36.0 1.0
O G:HOH422 4.7 60.4 1.0
CZ2 G:TRP42 4.7 34.3 1.0
CA J:GLY41 4.7 32.4 1.0
O G:HOH413 4.8 61.5 1.0
O J:HOH422 4.8 69.7 1.0

Chlorine binding site 10 out of 19 in 4s37

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Chlorine binding site 10 out of 19 in the Crystal Structure of R2 Pyocin Membrane-Piercing Spike


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of R2 Pyocin Membrane-Piercing Spike within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl206

b:99.8
occ:1.00
 N H:VAL74 3.2 54.7 1.0
N H:SER75 3.3 51.5 1.0
CA H:GLY73 3.4 51.5 1.0
OG H:SER75 3.4 61.8 1.0
C H:GLY73 3.4 52.6 1.0
CB H:SER75 3.6 52.1 1.0
CG2 H:VAL74 4.1 42.0 1.0
CA H:SER75 4.1 49.7 1.0
O H:GLY73 4.2 47.6 1.0
CA H:VAL74 4.2 46.8 1.0
C H:VAL74 4.2 56.3 1.0
O H:GLY72 4.5 48.0 1.0
N H:GLY73 4.7 53.2 1.0
CB H:VAL74 4.8 46.9 1.0

Reference:

C.B.Browning, P.G.Leiman, M.M.Shneider. Crystal Structure of R2 Pyocin Membrane-Piercing Spike To Be Published.
Page generated: Sat Dec 12 11:12:51 2020

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