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Chlorine in PDB 6e0v: Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92

Protein crystallography data

The structure of Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92, PDB code: 6e0v was solved by P.G.Leiman, C.Browning, R.Gerardy-Schahn, M.M.Shneider, M.Plattner, D.Schwarzer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.15 / 1.75
Space group P 3
Cell size a, b, c (Å), α, β, γ (°) 118.400, 118.400, 140.166, 90.00, 90.00, 120.00
R / Rfree (%) 13.4 / 16.3

Other elements in 6e0v:

The structure of Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92 also contains other interesting chemical elements:

Strontium (Sr) 24 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92 (pdb code 6e0v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92, PDB code: 6e0v:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 6e0v

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Chlorine binding site 1 out of 9 in the Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl908

b:17.8
occ:1.00
 H A:GLY533 2.3 18.3 1.0
HH A:TYR610 2.4 27.9 1.0
H A:VAL435 2.5 18.1 1.0
HA2 A:GLY434 3.0 23.8 1.0
OH A:TYR610 3.1 23.3 1.0
N A:GLY533 3.2 15.2 1.0
HD3 A:PRO534 3.2 20.8 1.0
N A:VAL435 3.3 15.1 1.0
HB A:VAL435 3.3 19.9 1.0
HA A:ALA532 3.3 18.2 1.0
O A:HOH1867 3.4 51.7 1.0
HD2 A:PRO534 3.4 20.8 1.0
HE2 A:TYR610 3.4 17.5 1.0
HG12 A:VAL435 3.5 24.8 1.0
HA2 A:GLY533 3.6 17.7 1.0
CD A:PRO534 3.7 17.3 1.0
CA A:GLY434 3.8 19.8 1.0
HB1 A:ALA532 3.9 20.1 1.0
HZ3 A:TRP524 3.9 19.8 1.0
CA A:GLY533 4.0 14.7 1.0
CB A:VAL435 4.0 16.5 1.0
CZ A:TYR610 4.0 19.5 1.0
CG1 A:VAL435 4.0 20.6 1.0
CA A:ALA532 4.0 15.2 1.0
CE2 A:TYR610 4.1 14.6 1.0
HG11 A:VAL435 4.1 24.8 1.0
C A:GLY434 4.1 16.7 1.0
C A:ALA532 4.1 14.1 1.0
HA3 A:GLY434 4.2 23.8 1.0
CA A:VAL435 4.3 13.4 1.0
CB A:ALA532 4.4 16.8 1.0
CZ3 A:TRP524 4.6 16.5 1.0
HA3 A:GLY533 4.7 17.7 1.0
N A:PRO534 4.7 13.3 1.0
O A:HOH1523 4.7 24.4 1.0
HB2 A:ALA532 4.7 20.1 1.0
HA A:VAL435 4.7 16.0 1.0
HG3 A:PRO534 4.8 19.1 1.0
CG A:PRO534 4.9 15.9 1.0
C A:GLY533 4.9 13.7 1.0
O A:HOH1344 4.9 28.2 1.0
HE3 A:TRP524 4.9 18.4 1.0
HD2 A:PHE609 4.9 34.4 1.0
HG13 A:VAL435 4.9 24.8 1.0
N A:GLY434 5.0 15.6 1.0

Chlorine binding site 2 out of 9 in 6e0v

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Chlorine binding site 2 out of 9 in the Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl909

b:25.4
occ:0.33
 HZ1 A:LYS699 2.7 47.7 1.0
HE1 A:HIS693 3.0 20.8 1.0
HD2 A:LYS699 3.1 47.8 1.0
HE3 A:LYS699 3.3 63.3 1.0
NZ A:LYS699 3.4 39.7 1.0
HZ2 A:LYS699 3.7 47.7 1.0
CE A:LYS699 3.7 52.8 1.0
CE1 A:HIS693 3.8 17.3 1.0
CD A:LYS699 3.8 39.9 1.0
HZ3 A:LYS699 4.2 47.7 1.0
HD3 A:LYS699 4.3 47.8 1.0
O A:HOH1480 4.4 29.3 0.3
ND1 A:HIS693 4.4 21.4 1.0
HE2 A:LYS699 4.6 63.3 1.0
O A:HOH1043 4.7 40.4 1.0
HG11 A:VAL691 4.7 27.2 1.0
O A:HOH1894 4.7 54.2 1.0
HG3 A:LYS699 4.8 55.3 1.0
NE2 A:HIS693 4.9 25.3 1.0
CG A:LYS699 4.9 46.1 1.0
HB2 A:LYS699 4.9 35.3 1.0

Chlorine binding site 3 out of 9 in 6e0v

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Chlorine binding site 3 out of 9 in the Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl910

b:31.3
occ:1.00
 H A:THR489 2.5 18.4 1.0
HG1 A:THR489 2.5 22.4 1.0
HH21 A:ARG457 3.2 29.7 1.0
HB A:THR489 3.2 26.5 1.0
OG1 A:THR489 3.2 18.7 1.0
O A:HOH1015 3.3 30.3 1.0
O C:HOH1526 3.3 48.9 1.0
N A:THR489 3.3 15.4 1.0
O A:HOH1627 3.4 46.5 1.0
HA A:THR488 3.5 21.1 1.0
CB A:THR489 3.6 22.1 1.0
NH2 A:ARG457 3.7 24.7 1.0
HH22 A:ARG457 3.8 29.7 1.0
HH11 A:ARG518 3.9 33.3 1.0
HG22 A:THR479 4.0 21.8 1.0
CA A:THR489 4.1 12.8 1.0
HH12 A:ARG518 4.1 33.3 1.0
O A:HOH1297 4.1 40.8 1.0
HG23 A:THR488 4.2 27.7 1.0
O A:LEU487 4.3 18.5 1.0
C A:THR488 4.3 15.6 1.0
CA A:THR488 4.3 17.6 1.0
NH1 A:ARG518 4.4 27.8 1.0
O A:HOH1654 4.6 48.7 1.0
CZ A:ARG457 4.6 23.3 1.0
HE A:ARG457 4.7 32.4 1.0
O C:HOH1567 4.7 60.7 1.0
HA A:THR489 4.8 15.4 1.0
HB2 A:SER516 4.8 18.8 1.0
O A:THR489 4.9 14.3 1.0
CG2 A:THR488 5.0 23.1 1.0
CG2 A:THR479 5.0 18.2 1.0

Chlorine binding site 4 out of 9 in 6e0v

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Chlorine binding site 4 out of 9 in the Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl910

b:26.9
occ:0.33
 HZ1 B:LYS699 2.7 51.4 1.0
HE1 B:HIS693 3.0 30.6 1.0
HZ2 B:LYS699 3.1 51.4 1.0
HD3 B:LYS699 3.2 51.5 1.0
NZ B:LYS699 3.3 42.8 1.0
HD2 B:LYS699 3.3 51.5 1.0
CD B:LYS699 3.7 42.9 1.0
CE1 B:HIS693 3.8 25.5 1.0
HZ3 B:LYS699 4.0 51.4 1.0
CE B:LYS699 4.1 45.7 1.0
ND1 B:HIS693 4.4 22.2 1.0
O B:HOH1446 4.5 28.3 0.3
O B:HOH1071 4.6 43.4 1.0
HE2 B:LYS699 4.6 54.8 1.0
HE3 B:LYS699 4.7 54.8 1.0
HG11 B:VAL691 4.8 28.2 1.0
HB2 B:LYS699 4.9 36.0 1.0
NE2 B:HIS693 5.0 26.1 1.0

Chlorine binding site 5 out of 9 in 6e0v

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Chlorine binding site 5 out of 9 in the Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl911

b:39.8
occ:1.00
 H B:THR489 2.4 24.2 1.0
HG1 B:THR489 2.5 27.2 1.0
HH12 B:ARG518 2.9 46.0 1.0
OG1 B:THR489 3.2 22.7 1.0
HB B:THR489 3.3 23.3 1.0
N B:THR489 3.3 20.2 1.0
HH21 B:ARG457 3.3 37.9 1.0
HA B:THR488 3.4 27.4 1.0
NH1 B:ARG518 3.6 38.3 1.0
CB B:THR489 3.7 19.4 1.0
NH2 B:ARG457 3.7 31.6 1.0
HH22 B:ARG457 3.8 37.9 1.0
HH11 B:ARG518 3.9 46.0 1.0
HG23 B:THR488 4.0 37.3 1.0
CA B:THR489 4.1 20.5 1.0
HG22 B:THR479 4.1 32.1 1.0
CA B:THR488 4.2 22.8 1.0
C B:THR488 4.2 26.0 1.0
HH22 B:ARG518 4.3 41.8 1.0
O B:LEU487 4.3 25.7 1.0
O B:HOH1592 4.6 50.1 1.0
O B:HOH1574 4.6 50.8 1.0
CZ B:ARG518 4.6 52.0 1.0
CZ B:ARG457 4.7 31.9 1.0
HE B:ARG457 4.7 50.5 1.0
HB2 B:SER516 4.7 30.6 1.0
HG B:SER516 4.8 29.5 1.0
HA B:THR489 4.8 24.6 1.0
NH2 B:ARG518 4.8 34.9 1.0
CG2 B:THR488 4.8 31.1 1.0
O B:THR489 4.8 19.6 1.0
O B:HOH1598 4.9 53.5 1.0
CG2 B:THR479 4.9 26.7 1.0
HG21 B:THR479 5.0 32.1 1.0

Chlorine binding site 6 out of 9 in 6e0v

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Chlorine binding site 6 out of 9 in the Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl912

b:23.9
occ:1.00
 HH B:TYR610 2.2 30.8 1.0
H B:GLY533 2.3 25.1 1.0
H B:VAL435 2.6 23.3 1.0
OH B:TYR610 3.0 25.6 1.0
O B:HOH1731 3.0 48.6 1.0
HA2 B:GLY434 3.0 28.2 1.0
HD3 B:PRO534 3.2 24.8 1.0
N B:GLY533 3.2 20.9 1.0
HD2 B:PRO534 3.3 24.8 1.0
HE2 B:TYR610 3.3 24.9 1.0
N B:VAL435 3.4 19.4 1.0
HB B:VAL435 3.4 24.3 1.0
HA B:ALA532 3.4 24.7 1.0
HG12 B:VAL435 3.5 25.1 1.0
HA2 B:GLY533 3.6 20.4 1.0
CD B:PRO534 3.7 20.7 1.0
HB1 B:ALA532 3.7 26.3 1.0
HZ3 B:TRP524 3.9 25.3 1.0
CA B:GLY434 3.9 23.5 1.0
CZ B:TYR610 3.9 23.9 1.0
CE2 B:TYR610 4.0 20.8 1.0
CA B:GLY533 4.0 17.0 1.0
CB B:VAL435 4.0 20.2 1.0
CA B:ALA532 4.0 20.5 1.0
HG11 B:VAL435 4.0 25.1 1.0
CG1 B:VAL435 4.1 20.9 1.0
C B:ALA532 4.1 20.3 1.0
C B:GLY434 4.1 24.5 1.0
HA3 B:GLY434 4.2 28.2 1.0
CB B:ALA532 4.3 21.9 1.0
CA B:VAL435 4.3 18.7 1.0
CZ3 B:TRP524 4.5 21.1 1.0
HB2 B:ALA532 4.6 26.3 1.0
HA3 B:GLY533 4.7 20.4 1.0
N B:PRO534 4.7 21.4 1.0
HG3 B:PRO534 4.7 22.7 1.0
HA B:VAL435 4.8 22.4 1.0
CG B:PRO534 4.8 18.9 1.0
HE3 B:TRP524 4.8 23.3 1.0
O B:HOH1515 4.8 32.8 1.0
O B:HOH1290 4.9 33.1 1.0
C B:GLY533 4.9 16.2 1.0
O B:HOH1508 4.9 45.0 1.0
HD2 B:PHE609 5.0 42.3 1.0
HG13 B:VAL435 5.0 25.1 1.0
N B:GLY434 5.0 20.4 1.0

Chlorine binding site 7 out of 9 in 6e0v

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Chlorine binding site 7 out of 9 in the Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl909

b:29.0
occ:0.33
 HZ2 C:LYS699 2.8 59.0 1.0
HE1 C:HIS693 2.9 29.3 1.0
HD2 C:LYS699 3.2 53.9 1.0
HZ3 C:LYS699 3.4 59.0 1.0
NZ C:LYS699 3.5 49.2 1.0
HD3 C:LYS699 3.6 53.9 1.0
CD C:LYS699 3.8 44.9 1.0
CE1 C:HIS693 3.8 24.4 1.0
HZ1 C:LYS699 4.2 59.0 1.0
CE C:LYS699 4.2 73.3 1.0
HD1 C:HIS693 4.2 28.8 1.0
ND1 C:HIS693 4.4 24.0 1.0
HE3 C:LYS699 4.5 87.9 1.0
O C:HOH1352 4.5 29.8 0.3
HG11 C:VAL691 4.8 27.8 1.0
O C:HOH1019 4.8 50.2 1.0
NE2 C:HIS693 4.9 27.0 1.0
HB2 C:LYS699 4.9 35.0 1.0
HE2 C:LYS699 5.0 87.9 1.0

Chlorine binding site 8 out of 9 in 6e0v

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Chlorine binding site 8 out of 9 in the Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl910

b:33.0
occ:1.00
 HH C:TYR610 2.2 27.3 1.0
H C:GLY533 2.3 21.4 1.0
OH C:TYR610 3.0 22.7 1.0
N C:GLY533 3.2 17.8 1.0
HD3 C:PRO534 3.2 19.7 1.0
HE2 C:TYR610 3.3 18.9 1.0
HA2 C:GLY434 3.3 22.3 1.0
H C:VAL435 3.3 26.3 1.0
HA C:ALA532 3.3 19.9 1.0
HD2 C:PRO534 3.4 19.7 1.0
HA2 C:GLY533 3.6 21.1 1.0
O C:HOH1624 3.7 44.5 1.0
CD C:PRO534 3.8 16.4 1.0
HZ3 C:TRP524 3.8 21.6 1.0
HB1 C:ALA532 3.8 23.1 1.0
CZ C:TYR610 3.9 29.0 1.0
HG12 C:VAL435 3.9 49.6 1.0
CE2 C:TYR610 3.9 15.8 1.0
CA C:GLY533 4.0 17.6 1.0
CA C:ALA532 4.0 16.5 1.0
N C:VAL435 4.1 21.9 1.0
C C:ALA532 4.1 16.6 1.0
HB C:VAL435 4.2 41.4 1.0
CA C:GLY434 4.2 18.6 1.0
CB C:ALA532 4.4 19.2 1.0
CZ3 C:TRP524 4.4 18.0 1.0
HA3 C:GLY434 4.5 22.3 1.0
HA3 C:GLY533 4.7 21.1 1.0
C C:GLY434 4.7 21.7 1.0
CG1 C:VAL435 4.7 41.3 1.0
HE3 C:TRP524 4.7 17.7 1.0
N C:PRO534 4.7 14.8 1.0
HB2 C:ALA532 4.8 23.1 1.0
CB C:VAL435 4.8 34.5 1.0
HG3 C:PRO534 4.8 18.8 1.0
HG11 C:VAL435 4.8 49.6 1.0
C C:GLY533 4.9 15.5 1.0
CG C:PRO534 4.9 15.7 1.0
CE3 C:TRP524 4.9 14.8 1.0
O C:HOH1584 4.9 46.2 1.0
HD2 C:PHE609 5.0 26.4 1.0

Chlorine binding site 9 out of 9 in 6e0v

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Chlorine binding site 9 out of 9 in the Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Apo Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl911

b:29.0
occ:1.00
 HG1 C:THR489 2.4 23.2 1.0
H C:THR489 2.4 19.6 1.0
HH12 C:ARG518 2.7 31.9 1.0
O C:HOH1596 2.8 51.0 1.0
HH21 C:ARG457 3.1 30.9 1.0
OG1 C:THR489 3.2 19.4 1.0
HB C:THR489 3.2 22.0 1.0
N C:THR489 3.3 16.3 1.0
HA C:THR488 3.3 25.8 1.0
NH1 C:ARG518 3.5 26.6 1.0
NH2 C:ARG457 3.6 25.8 1.0
CB C:THR489 3.6 18.3 1.0
HH22 C:ARG457 3.7 30.9 1.0
HH11 C:ARG518 3.8 31.9 1.0
O C:HOH1368 3.9 52.8 1.0
HH22 C:ARG518 3.9 33.6 1.0
CA C:THR489 4.0 17.9 1.0
HG23 C:THR488 4.0 26.7 1.0
HG22 C:THR479 4.1 24.8 1.0
CA C:THR488 4.2 21.5 1.0
C C:THR488 4.2 15.6 1.0
O C:LEU487 4.2 20.5 1.0
HE C:ARG457 4.4 33.2 1.0
CZ C:ARG518 4.4 31.8 1.0
O C:HOH1308 4.4 39.8 1.0
NH2 C:ARG518 4.5 28.0 1.0
O C:HOH1391 4.5 55.9 1.0
CZ C:ARG457 4.5 23.6 1.0
HA C:THR489 4.7 21.5 1.0
NE C:ARG457 4.8 27.6 1.0
HB2 C:SER516 4.9 33.2 1.0
O C:THR489 4.9 17.0 1.0
CG2 C:THR488 4.9 22.3 1.0
CG2 C:THR479 5.0 20.7 1.0
C C:THR489 5.0 15.5 1.0

Reference:

C.Browning, M.Plattner, M.M.Shneider, R.Gerardy-Schahn, P.G.Leiman, D.Schwarzer. Crystal Structure of the Colanidase Tailspike Protein GP150 of Phage PHI92 Complexed with One Repeating Unit of Colanic Acid To Be Published.
Page generated: Sat Jul 27 22:01:03 2024

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