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Chlorine in PDB 8g82: Vancomycin Bound to D-Ala-D-Ser

Protein crystallography data

The structure of Vancomycin Bound to D-Ala-D-Ser, PDB code: 8g82 was solved by P.J.Loll, J.H.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.53 / 1.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 30.49, 71.15, 82.44, 90, 90, 90
R / Rfree (%) 15.3 / 17.1

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Chlorine atom in the Vancomycin Bound to D-Ala-D-Ser (pdb code 8g82). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 20 binding sites of Chlorine where determined in the Vancomycin Bound to D-Ala-D-Ser, PDB code: 8g82:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 20 in 8g82

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Chlorine binding site 1 out of 20 in the Vancomycin Bound to D-Ala-D-Ser


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Vancomycin Bound to D-Ala-D-Ser within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2

b:13.8
occ:0.49
CL A:OMZ2 0.0 13.8 0.5
CE1 A:OMZ2 1.7 13.8 1.0
CZ A:OMZ2 2.7 14.1 1.0
CD1 A:OMZ2 2.7 14.2 1.0
OH A:OMZ2 2.8 14.7 1.0
C5 A:GHP4 3.4 13.4 1.0
C6 A:GHP4 3.4 12.8 1.0
O B:HOH208 3.5 22.2 1.0
CD2 B:OMY6 3.6 13.4 1.0
O B:HOH211 3.7 19.2 0.6
CE2 B:OMY6 3.8 13.6 1.0
O A:HOH208 3.9 26.8 0.7
CG A:OMZ2 4.0 12.7 1.0
CE2 A:OMZ2 4.0 13.8 1.0
O5 U:BGC1 4.3 14.1 1.0
C4 A:GHP4 4.4 13.0 1.0
O B:HOH211 4.4 23.0 0.5
CD2 A:OMZ2 4.5 12.9 1.0
ODE B:OMY6 4.5 14.3 1.0
C1 A:GHP4 4.5 12.0 1.0
CG B:OMY6 4.6 12.5 1.0
O6 U:BGC1 4.7 23.9 1.0
C6 U:BGC1 4.7 19.9 1.0
O1 U:BGC1 4.9 13.6 1.0
CZ B:OMY6 5.0 13.0 1.0
O A:ASN3 5.0 14.7 1.0

Chlorine binding site 2 out of 20 in 8g82

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Chlorine binding site 2 out of 20 in the Vancomycin Bound to D-Ala-D-Ser


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Vancomycin Bound to D-Ala-D-Ser within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl6

b:13.9
occ:0.75
CL A:OMY6 0.0 13.9 0.8
CE1 A:OMY6 1.8 14.2 1.0
CD1 A:OMY6 2.7 14.3 1.0
CZ A:OMY6 2.8 13.7 1.0
OCZ A:OMY6 3.0 13.3 1.0
OG K:DSN3 3.0 19.7 1.0
C3 A:GHP4 3.1 13.1 1.0
C2 A:GHP4 3.4 12.9 1.0
CB K:DSN3 3.5 17.6 1.0
C3A U:RER2 3.5 17.2 1.0
O K:HOH104 3.6 39.3 1.0
C4 A:GHP4 3.7 13.0 1.0
O K:HOH107 3.8 30.0 1.0
N K:DSN3 3.9 17.6 1.0
CG A:OMY6 4.0 14.4 1.0
CE2 A:OMY6 4.0 13.8 1.0
O A:GHP4 4.2 13.6 1.0
C1 A:GHP4 4.2 12.0 1.0
O1 U:BGC1 4.2 13.6 1.0
C K:DAL2 4.3 18.7 1.0
CA K:DSN3 4.4 16.9 1.0
C5 U:RER2 4.4 16.1 1.0
C5 A:GHP4 4.4 13.4 1.0
C4 U:RER2 4.4 17.2 1.0
CD2 A:OMY6 4.5 14.0 1.0
CA K:DAL2 4.6 18.6 1.0
C A:GHP4 4.6 13.4 1.0
O K:ACE1 4.6 18.8 1.0
C3 U:RER2 4.6 16.9 1.0
C6 A:GHP4 4.7 12.8 1.0
C5A U:RER2 4.9 17.4 1.0
O K:DAL2 4.9 20.9 1.0

Chlorine binding site 3 out of 20 in 8g82

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Chlorine binding site 3 out of 20 in the Vancomycin Bound to D-Ala-D-Ser


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Vancomycin Bound to D-Ala-D-Ser within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2

b:13.6
occ:0.67
CL B:OMZ2 0.0 13.6 0.7
CE1 B:OMZ2 1.7 13.2 1.0
CD1 B:OMZ2 2.7 13.2 1.0
CZ B:OMZ2 2.7 12.3 1.0
OH B:OMZ2 2.9 13.4 1.0
C5 B:GHP4 3.5 12.1 1.0
C6 B:GHP4 3.6 11.9 1.0
CD2 A:OMY6 3.7 14.0 1.0
C3A W:RER2 3.9 15.8 1.0
O A:HOH204 3.9 37.2 0.8
C5 W:RER2 3.9 14.6 1.0
CE2 A:OMY6 3.9 13.8 1.0
O A:HOH213 4.0 21.8 0.7
CG B:OMZ2 4.0 11.9 1.0
CE2 B:OMZ2 4.0 12.5 1.0
C5A W:RER2 4.1 15.6 1.0
C4 W:RER2 4.1 15.9 1.0
CD2 B:OMZ2 4.5 12.2 1.0
ODE A:OMY6 4.5 16.6 1.0
C4 B:GHP4 4.6 12.5 1.0
C3 W:RER2 4.6 15.1 1.0
CG A:OMY6 4.7 14.4 1.0
C1 B:GHP4 4.7 11.8 1.0

Chlorine binding site 4 out of 20 in 8g82

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Chlorine binding site 4 out of 20 in the Vancomycin Bound to D-Ala-D-Ser


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Vancomycin Bound to D-Ala-D-Ser within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl6

b:13.2
occ:0.79
CL B:OMY6 0.0 13.2 0.8
CE1 B:OMY6 1.8 12.7 1.0
CD1 B:OMY6 2.7 12.7 1.0
CZ B:OMY6 2.8 13.0 1.0
OCZ B:OMY6 3.1 13.5 1.0
OG L:DSN3 3.1 14.2 0.3
C3 B:GHP4 3.2 12.7 1.0
C2 B:GHP4 3.5 12.9 1.0
O5 W:BGC1 3.5 17.0 1.0
C6 W:BGC1 3.5 22.0 1.0
CB L:DSN3 3.5 12.2 0.7
N L:DSN3 3.7 15.8 0.3
CB L:DSN3 3.7 14.4 0.3
C L:DAL2 3.7 10.5 0.7
N L:DSN3 3.8 11.1 0.7
C L:DAL2 3.8 16.8 0.3
O L:HOH104 3.8 26.1 1.0
C4 B:GHP4 3.9 12.5 1.0
C5 W:BGC1 3.9 20.0 1.0
O6 W:BGC1 4.0 22.8 1.0
CG B:OMY6 4.0 12.5 1.0
CA L:DAL2 4.0 17.7 0.3
O L:DAL2 4.0 10.5 0.7
CA L:DAL2 4.0 10.7 0.7
CE2 B:OMY6 4.1 13.6 1.0
O L:HOH102 4.1 20.1 1.0
O B:GHP4 4.1 12.2 1.0
O L:ACE1 4.2 18.2 0.3
C1 B:GHP4 4.3 11.8 1.0
CA L:DSN3 4.3 10.9 0.7
CA L:DSN3 4.3 15.0 0.3
C1 W:BGC1 4.4 15.3 1.0
O L:ACE1 4.4 10.4 0.7
O L:DAL2 4.4 17.1 0.3
O1 W:BGC1 4.4 13.6 1.0
N L:DAL2 4.4 17.6 0.3
N L:DAL2 4.5 10.8 0.7
C L:ACE1 4.5 17.9 0.3
CD2 B:OMY6 4.5 13.4 1.0
C B:GHP4 4.6 11.9 1.0
C5 B:GHP4 4.6 12.1 1.0
C L:ACE1 4.7 10.4 0.7
OG L:DSN3 4.7 14.9 0.7
C6 B:GHP4 4.8 11.9 1.0
C6 U:BGC1 4.9 19.9 1.0

Chlorine binding site 5 out of 20 in 8g82

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Chlorine binding site 5 out of 20 in the Vancomycin Bound to D-Ala-D-Ser


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Vancomycin Bound to D-Ala-D-Ser within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl2

b:13.9
occ:0.49
CL C:OMZ2 0.0 13.9 0.5
CE1 C:OMZ2 1.7 14.7 1.0
CD1 C:OMZ2 2.7 15.4 1.0
CZ C:OMZ2 2.7 14.0 1.0
OH C:OMZ2 2.8 14.5 1.0
O3 D:BO3101 3.3 42.5 1.0
C5 C:GHP4 3.4 14.2 1.0
CE2 D:OMY6 3.5 13.4 1.0
O D:HOH206 3.5 22.7 1.0
C6 C:GHP4 3.5 12.7 1.0
CD2 D:OMY6 3.5 13.2 1.0
O C:HOH212 3.6 23.7 1.0
O6 Y:BGC1 3.9 18.8 1.0
O5 Y:BGC1 4.0 14.7 1.0
CG C:OMZ2 4.0 15.4 1.0
CE2 C:OMZ2 4.0 15.3 1.0
B D:BO3101 4.1 14.3 1.0
C6 Y:BGC1 4.2 16.6 1.0
C4 C:GHP4 4.2 13.5 1.0
O2 D:BO3101 4.4 55.9 1.0
CD2 C:OMZ2 4.5 15.8 1.0
C1 C:GHP4 4.5 12.5 1.0
CZ D:OMY6 4.6 13.2 1.0
CG D:OMY6 4.6 13.4 1.0
O1 Y:BGC1 4.7 14.1 1.0
C5 Y:BGC1 4.8 15.8 1.0
ODE D:OMY6 4.9 13.7 1.0
C1 Y:BGC1 5.0 13.8 1.0
O C:ASN3 5.0 14.0 1.0

Chlorine binding site 6 out of 20 in 8g82

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Chlorine binding site 6 out of 20 in the Vancomycin Bound to D-Ala-D-Ser


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Vancomycin Bound to D-Ala-D-Ser within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl6

b:13.8
occ:0.79
CL C:OMY6 0.0 13.8 0.8
CE1 C:OMY6 1.8 12.8 1.0
CD1 C:OMY6 2.7 13.2 1.0
CZ C:OMY6 2.8 13.4 1.0
OCZ C:OMY6 3.0 14.0 1.0
C3 C:GHP4 3.1 12.9 1.0
OG M:DSN3 3.3 18.4 1.0
C2 C:GHP4 3.4 13.1 1.0
O M:HOH101 3.6 25.1 1.0
C4 C:GHP4 3.7 13.5 1.0
CB M:DSN3 3.7 17.8 1.0
C5 Y:RER2 3.7 19.1 1.0
C3A Y:RER2 3.7 19.3 1.0
C4 Y:RER2 3.9 20.0 1.0
C5A Y:RER2 3.9 20.3 1.0
CG C:OMY6 4.0 13.4 1.0
CE2 C:OMY6 4.1 12.8 1.0
O1 Y:BGC1 4.1 14.1 1.0
C1 C:GHP4 4.2 12.5 1.0
C5 C:GHP4 4.3 14.2 1.0
C3 Y:RER2 4.4 19.2 1.0
O E:HOH218 4.5 26.2 1.0
CD2 C:OMY6 4.6 12.5 1.0
O C:GHP4 4.6 12.3 1.0
C6 C:GHP4 4.6 12.7 1.0
C C:GHP4 4.7 11.4 1.0
O M:ACE1 4.8 18.1 1.0
O M:HOH102 4.9 18.0 1.0
CA M:DSN3 4.9 16.7 1.0
N M:DSN3 5.0 17.3 1.0

Chlorine binding site 7 out of 20 in 8g82

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Chlorine binding site 7 out of 20 in the Vancomycin Bound to D-Ala-D-Ser


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Vancomycin Bound to D-Ala-D-Ser within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl2

b:11.2
occ:0.54
CL D:OMZ2 0.0 11.2 0.5
CE1 D:OMZ2 1.7 11.3 1.0
CD1 D:OMZ2 2.7 11.9 1.0
CZ D:OMZ2 2.7 11.8 1.0
OH D:OMZ2 2.9 12.5 1.0
O E:HOH214 3.3 28.9 1.0
C6 D:GHP4 3.4 12.2 1.0
C5 D:GHP4 3.4 12.7 1.0
O D:HOH219 3.7 27.5 0.7
CD2 C:OMY6 3.7 12.5 1.0
CE2 C:OMY6 3.8 12.8 1.0
C5A a:RER2 3.8 15.1 1.0
C5 a:RER2 3.8 13.8 1.0
CG D:OMZ2 4.0 11.3 1.0
CE2 D:OMZ2 4.0 12.1 1.0
C4 a:RER2 4.0 13.3 1.0
O E:HOH212 4.1 26.3 1.0
C3A a:RER2 4.3 14.4 1.0
C4 D:GHP4 4.4 12.7 1.0
C1 D:GHP4 4.4 11.6 1.0
CD2 D:OMZ2 4.5 12.1 1.0
O D:ASN3 4.5 13.0 1.0
C D:ASN3 4.7 11.4 1.0
C3 a:RER2 4.8 12.9 1.0
CG C:OMY6 4.9 13.4 1.0
O F:OMZ2 4.9 12.7 1.0
ODE C:OMY6 4.9 13.7 1.0
O C:HOH217 4.9 29.8 0.9
O1 a:BGC1 4.9 12.9 1.0
CZ C:OMY6 5.0 13.4 1.0
N D:GHP4 5.0 10.8 1.0
CD1 F:OMZ2 5.0 12.4 1.0

Chlorine binding site 8 out of 20 in 8g82

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Chlorine binding site 8 out of 20 in the Vancomycin Bound to D-Ala-D-Ser


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Vancomycin Bound to D-Ala-D-Ser within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl6

b:13.1
occ:0.88
CL D:OMY6 0.0 13.1 0.9
CE1 D:OMY6 1.7 13.1 1.0
CD1 D:OMY6 2.7 12.9 1.0
CZ D:OMY6 2.8 13.2 1.0
OG N:DSN3 3.0 16.7 1.0
C3 D:GHP4 3.1 12.6 1.0
OCZ D:OMY6 3.1 13.0 1.0
C2 D:GHP4 3.3 12.7 1.0
O5 a:BGC1 3.4 14.3 1.0
CB N:DSN3 3.5 14.2 1.0
C4 D:GHP4 3.6 12.7 1.0
O N:HOH104 3.6 29.3 1.0
C6 a:BGC1 3.6 18.4 1.0
C5 a:BGC1 3.8 16.4 1.0
N N:DSN3 3.8 13.7 1.0
O D:HOH218 3.9 31.4 1.0
CG D:OMY6 4.0 13.4 1.0
C1 D:GHP4 4.1 11.6 1.0
CE2 D:OMY6 4.1 13.4 1.0
C1 a:BGC1 4.1 13.3 1.0
O1 D:BO3101 4.2 39.0 1.0
C N:DAL2 4.2 13.7 1.0
C5 D:GHP4 4.2 12.7 1.0
O1 a:BGC1 4.2 12.9 1.0
O D:GHP4 4.3 11.3 1.0
CA N:DSN3 4.3 13.5 1.0
O6 a:BGC1 4.4 20.8 1.0
O N:ACE1 4.4 12.4 1.0
CA N:DAL2 4.5 13.5 1.0
C6 D:GHP4 4.5 12.2 1.0
CD2 D:OMY6 4.5 13.2 1.0
C D:GHP4 4.5 10.9 1.0
O N:DAL2 4.8 16.5 1.0
C N:ACE1 4.8 13.4 1.0
N N:DAL2 4.9 14.4 1.0
CA D:GHP4 5.0 11.2 1.0
B D:BO3101 5.0 14.3 1.0

Chlorine binding site 9 out of 20 in 8g82

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Chlorine binding site 9 out of 20 in the Vancomycin Bound to D-Ala-D-Ser


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Vancomycin Bound to D-Ala-D-Ser within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl2

b:16.1
occ:0.56
CL E:OMZ2 0.0 16.1 0.6
CE1 E:OMZ2 1.7 15.6 1.0
CD1 E:OMZ2 2.7 16.6 1.0
CZ E:OMZ2 2.7 16.5 1.0
OH E:OMZ2 2.8 16.7 1.0
C5 E:GHP4 3.4 14.9 1.0
C6 E:GHP4 3.4 14.5 1.0
O E:HOH211 3.6 27.1 0.5
O E:HOH213 3.7 32.6 1.0
CD2 F:OMY6 3.8 14.4 1.0
CE2 F:OMY6 3.8 13.8 1.0
CG E:OMZ2 4.0 16.1 1.0
CE2 E:OMZ2 4.0 17.1 1.0
O6 c:BGC1 4.2 23.2 1.0
O5 c:BGC1 4.2 15.6 1.0
C4 E:GHP4 4.4 13.8 1.0
O E:HOH211 4.4 29.5 0.6
CD2 E:OMZ2 4.5 17.1 1.0
C6 c:BGC1 4.5 20.6 1.0
C1 E:GHP4 4.5 13.2 1.0
O E:ASN3 4.7 14.4 1.0
C E:ASN3 4.9 13.1 1.0
O F:HOH114 4.9 41.2 1.0
O1 c:BGC1 4.9 14.7 1.0
CG F:OMY6 4.9 13.8 1.0
CZ F:OMY6 4.9 14.0 1.0

Chlorine binding site 10 out of 20 in 8g82

Go back to Chlorine Binding Sites List in 8g82
Chlorine binding site 10 out of 20 in the Vancomycin Bound to D-Ala-D-Ser


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Vancomycin Bound to D-Ala-D-Ser within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl6

b:15.1
occ:0.87
CL E:OMY6 0.0 15.1 0.9
CE1 E:OMY6 1.8 14.1 1.0
CD1 E:OMY6 2.7 14.2 1.0
CZ E:OMY6 2.8 13.9 1.0
OCZ E:OMY6 3.0 14.2 1.0
C3 E:GHP4 3.1 13.5 1.0
OG O:DSN3 3.2 22.2 1.0
C2 E:GHP4 3.5 13.8 1.0
O O:HOH204 3.6 31.9 1.0
C4 E:GHP4 3.7 13.8 1.0
CB O:DSN3 3.7 19.7 1.0
C5 c:RER2 3.7 19.1 1.0
C3A c:RER2 3.8 17.8 1.0
O O:HOH207 3.9 29.3 1.0
C5A c:RER2 3.9 20.2 1.0
C4 c:RER2 4.0 19.3 1.0
CG E:OMY6 4.0 12.9 1.0
CE2 E:OMY6 4.1 13.8 1.0
O1 c:BGC1 4.1 14.7 1.0
C1 E:GHP4 4.2 13.2 1.0
N O:DSN3 4.3 17.3 1.0
C5 E:GHP4 4.3 14.9 1.0
O E:GHP4 4.5 14.2 1.0
CD2 E:OMY6 4.5 13.3 1.0
C3 c:RER2 4.5 18.1 1.0
C6 E:GHP4 4.6 14.5 1.0
CA O:DSN3 4.6 17.6 1.0
O O:ACE1 4.7 17.0 1.0
O C:HOH215 4.7 25.9 1.0
C E:GHP4 4.8 12.7 1.0
C O:DAL2 4.8 18.6 1.0

Reference:

J.H.Park, P.J.Loll. Structure of Vancomycin Bound to D-Ala-D-Ser To Be Published.
Page generated: Sun Jul 13 11:45:42 2025

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